(1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate

C22H17ClN2O3 — CID 2768617

IUPAC(1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OC1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H17ClN2O3/c23-16-9-6-10-17(13-16)24-22(27)28-20-18-11-4-5-12-19(18)25(21(20)26)14-15-7-2-1-3-8-15/h1-13,20H,14H2,(H,24,27)
InChIKeyIIWJPQVJQNVOPW-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.18
Rot. Bonds4

About (1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate

(1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate (PubChem CID 2768617) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is (1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name(1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate
PubChem CID2768617
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name(1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OC1C(=O)N(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H17ClN2O3/c23-16-9-6-10-17(13-16)24-22(27)28-20-18-11-4-5-12-19(18)25(21(20)26)14-15-7-2-1-3-8-15/h1-13,20H,14H2,(H,24,27)
InChIKeyIIWJPQVJQNVOPW-UHFFFAOYSA-N
XLogP5.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methoxy-3H-indol-2-one
CID 134908410
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chlorophenyl)acetamide
CID 7819933
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
methyl N-(3-chlorophenyl)carbamate
CID 16529
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide
CID 1194953
2-(4-benzyl-7-oxo-1,4-diazepan-1-yl)ethyl N-(3-chlorophenyl)carbamate
CID 6100468
[2-(1,3-dioxolan-2-yl)phenyl] N-(3-chlorophenyl)carbamate
CID 14595424
1-benzyl-3-(2-oxobutyl)-3H-indol-2-one
CID 53381662
[3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate
CID 79346589
2-[(5R)-3-benzyl-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chlorophenyl)acetamide
CID 41245307
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
4-(benzylsulfanylmethyl)-N-(3-chlorophenyl)benzamide
CID 2271018

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate?
The IUPAC name of (1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate (CID 2768617) is (1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate.
What is the SMILES notation for (1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate?
The canonical SMILES for (1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)OC1C(=O)N(Cc2ccccc2)c2ccccc21.
What is the InChIKey of (1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate?
The InChIKey is IIWJPQVJQNVOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-16-9-6-10-17(13-16)24-22(27)28-20-18-11-4-5-12-19(18)25(21(20)26)14-15-7-2-1-3-8-15/h1-13,20H,14H2,(H,24,27).
What are the key properties of (1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate?
(1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate has a molecular weight of 392.84 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2-oxo-3H-indol-3-yl) N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 2768617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).