acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane

C82H88Cl2N16O16 — CID 157404038

About acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane

acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane (PubChem CID 157404038) has the molecular formula C82H88Cl2N16O16 and a molecular weight of 1624.61 g/mol. Its IUPAC name is acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane.

Molecular Properties

• Compound Name: acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane
• PubChem CID: 157404038
• Molecular Formula: C82H88Cl2N16O16
• Molecular Weight: 1624.61 g/mol
• Exact Mass: 1622.59
• IUPAC Name: acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane
• SMILES: C1CCOC1.C=CC(=O)Nc1cccc(Oc2nc(Cl)ncc2OC)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc4c(c3)CCN4C(C)=O)ncc2OC)c1.CC(=O)Cl.CC(=O)N1CCc2cc(N)ccc21.CC(=O)N1CCc2cc(N)ccc21.CC(=O)N1CCc2cc([N+](=O)[O-])ccc21.O=[N+]([O-])c1ccc2c(c1)CCN2
• InChI: InChI=1S/C24H23N5O4.C14H12ClN3O3.C10H10N2O3.2C10H12N2O.C8H8N2O2.C4H8O.C2H3ClO/c1-4-22(31)26-17-6-5-7-19(13-17)33-23-21(32-3)14-25-24(28-23)27-18-8-9-20-16(12-18)10-11-29(20)15(2)30;1-3-12(19)17-9-5-4-6-10(7-9)21-13-11(20-2)8-16-14(15)18-13;1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11;2*1-7(13)12-5-4-8-6-9(11)2-3-10(8)12;11-10(12)7-1-2-8-6(5-7)3-4-9-8;1-2-4-5-3-1;1-2(3)4/h4-9,12-14H,1,10-11H2,2-3H3,(H,26,31)(H,25,27,28);3-8H,1H2,2H3,(H,17,19);2-3,6H,4-5H2,1H3;2*2-3,6H,4-5,11H2,1H3;1-2,5,9H,3-4H2;1-4H2;1H3
• InChIKey: BNMTVHXEISJOKL-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 416.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1624.61
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane?

The IUPAC name of acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane (CID 157404038) is acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane.

What is the SMILES notation for acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane?

The canonical SMILES for acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane is C1CCOC1.C=CC(=O)Nc1cccc(Oc2nc(Cl)ncc2OC)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc4c(c3)CCN4C(C)=O)ncc2OC)c1.CC(=O)Cl.CC(=O)N1CCc2cc(N)ccc21.CC(=O)N1CCc2cc(N)ccc21.CC(=O)N1CCc2cc([N+](=O)[O-])ccc21.O=[N+]([O-])c1ccc2c(c1)CCN2.

What is the InChIKey of acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane?

The InChIKey is BNMTVHXEISJOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4.C14H12ClN3O3.C10H10N2O3.2C10H12N2O.C8H8N2O2.C4H8O.C2H3ClO/c1-4-22(31)26-17-6-5-7-19(13-17)33-23-21(32-3)14-25-24(28-23)27-18-8-9-20-16(12-18)10-11-29(20)15(2)30;1-3-12(19)17-9-5-4-6-10(7-9)21-13-11(20-2)8-16-14(15)18-13;1-7(13)11-5-4-8-6-9(12(14)15)2-3-10(8)11;2*1-7(13)12-5-4-8-6-9(11)2-3-10(8)12;11-10(12)7-1-2-8-6(5-7)3-4-9-8;1-2-4-5-3-1;1-2(3)4/h4-9,12-14H,1,10-11H2,2-3H3,(H,26,31)(H,25,27,28);3-8H,1H2,2H3,(H,17,19);2-3,6H,4-5H2,1H3;2*2-3,6H,4-5,11H2,1H3;1-2,5,9H,3-4H2;1-4H2;1H3.

What are the key properties of acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane?

acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane has a molecular weight of 1624.61 g/mol, XLogP of 14.10, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl chloride;N-[3-[2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-5-methoxypyrimidin-4-yl]oxyphenyl]prop-2-enamide;bis(1-(5-amino-2,3-dihydroindol-1-yl)ethanone);N-[3-(2-chloro-5-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enamide;5-nitro-2,3-dihydro-1H-indole;1-(5-nitro-2,3-dihydroindol-1-yl)ethanone;oxolane is sourced from PubChem (CID 157404038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).