4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C73H86Cl4F4N10O12 — CID 159894809

IUPAC4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)C(=O)CCc1cccc(Cl)c1F.CC(C)(C)OC(=O)NC(C)(C)C(=O)O.CC(C)(N)C(=O)CCc1cccc(Cl)c1F.CC(C)(NC(=O)Cn1nc(C(N)=O)c2ccccc21)C(=O)CCc1cccc(Cl)c1F.NC(=O)c1nn(CC(=O)O)c2ccccc12.NCc1cccc(Cl)c1F
InChIInChI=1S/C22H22ClFN4O3.C13H16ClFO.C12H15ClFNO.C10H9N3O3.C9H17NO4.C7H7ClFN/c1-22(2,17(29)11-10-13-6-5-8-15(23)19(13)24)26-18(30)12-28-16-9-4-3-7-14(16)20(27-28)21(25)31;1-13(2,3)11(16)8-7-9-5-4-6-10(14)12(9)15;1-12(2,15)10(16)7-6-8-4-3-5-9(13)11(8)14;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;1-8(2,3)14-7(13)10-9(4,5)6(11)12;8-6-3-1-2-5(4-10)7(6)9/h3-9H,10-12H2,1-2H3,(H2,25,31)(H,26,30);4-6H,7-8H2,1-3H3;3-5H,6-7,15H2,1-2H3;1-4H,5H2,(H2,11,16)(H,14,15);1-5H3,(H,10,13)(H,11,12);1-3H,4,10H2
InChIKeyNVFACDRMSCXOHW-UHFFFAOYSA-N
MW1513.35 g/mol
LogP13.30
Rot. Bonds21

About 4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 159894809) has the molecular formula C73H86Cl4F4N10O12 and a molecular weight of 1513.35 g/mol. Its IUPAC name is 4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID159894809
Molecular FormulaC73H86Cl4F4N10O12
Molecular Weight1513.35 g/mol
Exact Mass1510.51
IUPAC Name4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)C(=O)CCc1cccc(Cl)c1F.CC(C)(C)OC(=O)NC(C)(C)C(=O)O.CC(C)(N)C(=O)CCc1cccc(Cl)c1F.CC(C)(NC(=O)Cn1nc(C(N)=O)c2ccccc21)C(=O)CCc1cccc(Cl)c1F.NC(=O)c1nn(CC(=O)O)c2ccccc12.NCc1cccc(Cl)c1F
InChIInChI=1S/C22H22ClFN4O3.C13H16ClFO.C12H15ClFNO.C10H9N3O3.C9H17NO4.C7H7ClFN/c1-22(2,17(29)11-10-13-6-5-8-15(23)19(13)24)26-18(30)12-28-16-9-4-3-7-14(16)20(27-28)21(25)31;1-13(2,3)11(16)8-7-9-5-4-6-10(14)12(9)15;1-12(2,15)10(16)7-6-8-4-3-5-9(13)11(8)14;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;1-8(2,3)14-7(13)10-9(4,5)6(11)12;8-6-3-1-2-5(4-10)7(6)9/h3-9H,10-12H2,1-2H3,(H2,25,31)(H,26,30);4-6H,7-8H2,1-3H3;3-5H,6-7,15H2,1-2H3;1-4H,5H2,(H2,11,16)(H,14,15);1-5H3,(H,10,13)(H,11,12);1-3H,4,10H2
InChIKeyNVFACDRMSCXOHW-UHFFFAOYSA-N
XLogP13.30
TPSA367.10 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001513.35
LogP ≤ 513.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of 4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 159894809) is 4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for 4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for 4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)C(=O)CCc1cccc(Cl)c1F.CC(C)(C)OC(=O)NC(C)(C)C(=O)O.CC(C)(N)C(=O)CCc1cccc(Cl)c1F.CC(C)(NC(=O)Cn1nc(C(N)=O)c2ccccc21)C(=O)CCc1cccc(Cl)c1F.NC(=O)c1nn(CC(=O)O)c2ccccc12.NCc1cccc(Cl)c1F.
What is the InChIKey of 4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is NVFACDRMSCXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O3.C13H16ClFO.C12H15ClFNO.C10H9N3O3.C9H17NO4.C7H7ClFN/c1-22(2,17(29)11-10-13-6-5-8-15(23)19(13)24)26-18(30)12-28-16-9-4-3-7-14(16)20(27-28)21(25)31;1-13(2,3)11(16)8-7-9-5-4-6-10(14)12(9)15;1-12(2,15)10(16)7-6-8-4-3-5-9(13)11(8)14;11-10(16)9-6-3-1-2-4-7(6)13(12-9)5-8(14)15;1-8(2,3)14-7(13)10-9(4,5)6(11)12;8-6-3-1-2-5(4-10)7(6)9/h3-9H,10-12H2,1-2H3,(H2,25,31)(H,26,30);4-6H,7-8H2,1-3H3;3-5H,6-7,15H2,1-2H3;1-4H,5H2,(H2,11,16)(H,14,15);1-5H3,(H,10,13)(H,11,12);1-3H,4,10H2.
What are the key properties of 4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 1513.35 g/mol, XLogP of 13.30, 21 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-chloro-2-fluorophenyl)-4-methylpentan-3-one;2-(3-carbamoylindazol-1-yl)acetic acid;1-(3-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-one;(3-chloro-2-fluorophenyl)methanamine;1-[2-[[5-(3-chloro-2-fluorophenyl)-2-methyl-3-oxopentan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide;2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 159894809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).