(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide

C16H13ClN2O2 — CID 41428763

IUPAC(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-12-7-5-10(6-8-12)16(21)19-13-4-2-1-3-11(13)9-14(19)15(18)20/h1-8,14H,9H2,(H2,18,20)/t14-/m1/s1
InChIKeyBVFJEJVCLZHLNE-CQSZACIVSA-N
MW300.75 g/mol
LogP2.40
Rot. Bonds2

About (2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide

(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide (PubChem CID 41428763) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is (2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
PubChem CID41428763
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide
SMILESNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN2O2/c17-12-7-5-10(6-8-12)16(21)19-13-4-2-1-3-11(13)9-14(19)15(18)20/h1-8,14H,9H2,(H2,18,20)/t14-/m1/s1
InChIKeyBVFJEJVCLZHLNE-CQSZACIVSA-N
XLogP2.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[4-[(R)-methylsulfinyl]benzoyl]-2,3-dihydroindole-2-carboxamide
CID 95146370
(2R)-1-(3,4-dimethylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 40829167
(2S)-1-(3-methylbenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428724
(2S)-1-[4-(diethylsulfamoyl)benzoyl]-2,3-dihydroindole-2-carboxamide
CID 41428851
1-(3,4-diethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 18587923
(2S)-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-2-carboxamide
CID 41428756
(2S)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-2-carboxamide
CID 86777025
(2S)-1-(5-acetamido-2-fluorobenzoyl)-2,3-dihydroindole-2-carboxamide
CID 56822734
1-(1-benzofuran-2-carbonyl)-2,3-dihydroindole-2-carboxamide
CID 18587951
(2S)-1-(6-chloropyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61144897
1-hydroxy-2,3-dihydroindole-2-carboxamide
CID 154385524
1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954591

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide (CID 41428763) is (2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide is NC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide?
The InChIKey is BVFJEJVCLZHLNE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-7-5-10(6-8-12)16(21)19-13-4-2-1-3-11(13)9-14(19)15(18)20/h1-8,14H,9H2,(H2,18,20)/t14-/m1/s1.
What are the key properties of (2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide?
(2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorobenzoyl)-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 41428763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).