6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride

C92H110Br4Cl2F6N12O16Si — CID 158182880

About 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride

6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride (PubChem CID 158182880) has the molecular formula C92H110Br4Cl2F6N12O16Si and a molecular weight of 2172.56 g/mol. Its IUPAC name is 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride.

Molecular Properties

• Compound Name: 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride
• PubChem CID: 158182880
• Molecular Formula: C92H110Br4Cl2F6N12O16Si
• Molecular Weight: 2172.56 g/mol
• Exact Mass: 2166.39
• IUPAC Name: 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride
• SMILES: C.C.CC(C)(C)[Si](C)(C)OCCN.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(Br)c(F)c23)CC1.COc1ccccc1C1CCNCC1.Cl.N.Nc1ccc(Br)c(F)c1C(=O)O.Nc1cccc(F)c1C(=O)O.O.O=C(Cl)C1CC1.O=C(O)c1c(F)cccc1[N+](=O)[O-].O=c1[nH]c(C2CC2)nc2ccc(Br)c(F)c12.O=c1oc(C2CC2)nc2ccc(Br)c(F)c12
• InChI: InChI=1S/C23H23BrFN3O.C12H17NO.C11H8BrFN2O.C11H7BrFNO2.C8H21NOSi.C7H5BrFNO2.C7H4FNO4.C7H6FNO2.C4H5ClO.2CH4.ClH.H3N.H2O/c1-29-19-5-3-2-4-16(19)14-10-12-28(13-11-14)23-20-18(9-8-17(24)21(20)25)26-22(27-23)15-6-7-15;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;12-6-3-4-7-8(9(6)13)11(16)15-10(14-7)5-1-2-5;12-6-3-4-7-8(9(6)13)11(15)16-10(14-7)5-1-2-5;1-8(2,3)11(4,5)10-7-6-9;8-3-1-2-4(10)5(6(3)9)7(11)12;8-4-2-1-3-5(9(12)13)6(4)7(10)11;8-4-2-1-3-5(9)6(4)7(10)11;5-4(6)3-1-2-3;;;;;/h2-5,8-9,14-15H,6-7,10-13H2,1H3;2-5,10,13H,6-9H2,1H3;3-5H,1-2H2,(H,14,15,16);3-5H,1-2H2;6-7,9H2,1-5H3;1-2H,10H2,(H,11,12);1-3H,(H,10,11);1-3H,9H2,(H,10,11);3H,1-2H2;2*1H4;1H;1H3;1H2
• InChIKey: UZCSMHZUPOOYQE-UHFFFAOYSA-N
• XLogP: 22.20
• TPSA: 474.26 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2172.56
LogP ≤ 5	22.20
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride?

The IUPAC name of 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride (CID 158182880) is 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride.

What is the SMILES notation for 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride?

The canonical SMILES for 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride is C.C.CC(C)(C)[Si](C)(C)OCCN.COc1ccccc1C1CCN(c2nc(C3CC3)nc3ccc(Br)c(F)c23)CC1.COc1ccccc1C1CCNCC1.Cl.N.Nc1ccc(Br)c(F)c1C(=O)O.Nc1cccc(F)c1C(=O)O.O.O=C(Cl)C1CC1.O=C(O)c1c(F)cccc1[N+](=O)[O-].O=c1[nH]c(C2CC2)nc2ccc(Br)c(F)c12.O=c1oc(C2CC2)nc2ccc(Br)c(F)c12.

What is the InChIKey of 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride?

The InChIKey is UZCSMHZUPOOYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrFN3O.C12H17NO.C11H8BrFN2O.C11H7BrFNO2.C8H21NOSi.C7H5BrFNO2.C7H4FNO4.C7H6FNO2.C4H5ClO.2CH4.ClH.H3N.H2O/c1-29-19-5-3-2-4-16(19)14-10-12-28(13-11-14)23-20-18(9-8-17(24)21(20)25)26-22(27-23)15-6-7-15;1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;12-6-3-4-7-8(9(6)13)11(16)15-10(14-7)5-1-2-5;12-6-3-4-7-8(9(6)13)11(15)16-10(14-7)5-1-2-5;1-8(2,3)11(4,5)10-7-6-9;8-3-1-2-4(10)5(6(3)9)7(11)12;8-4-2-1-3-5(9(12)13)6(4)7(10)11;8-4-2-1-3-5(9)6(4)7(10)11;5-4(6)3-1-2-3;;;;;/h2-5,8-9,14-15H,6-7,10-13H2,1H3;2-5,10,13H,6-9H2,1H3;3-5H,1-2H2,(H,14,15,16);3-5H,1-2H2;6-7,9H2,1-5H3;1-2H,10H2,(H,11,12);1-3H,(H,10,11);1-3H,9H2,(H,10,11);3H,1-2H2;2*1H4;1H;1H3;1H2.

What are the key properties of 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride?

6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride has a molecular weight of 2172.56 g/mol, XLogP of 22.20, 16 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-bromo-2-fluorobenzoic acid;2-amino-6-fluorobenzoic acid;azane;6-bromo-2-cyclopropyl-5-fluoro-3,1-benzoxazin-4-one;6-bromo-2-cyclopropyl-5-fluoro-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazoline;6-bromo-2-cyclopropyl-5-fluoro-3H-quinazolin-4-one;2-[tert-butyl(dimethyl)silyl]oxyethanamine;cyclopropanecarbonyl chloride;2-fluoro-6-nitrobenzoic acid;methane;4-(2-methoxyphenyl)piperidine;hydrate;hydrochloride is sourced from PubChem (CID 158182880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).