5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide

C19H18ClN3O3 — CID 10237241

IUPAC5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N(CCO)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18ClN3O3/c20-14-6-7-16-13(10-14)11-17(22-16)19(26)21-12-18(25)23(8-9-24)15-4-2-1-3-5-15/h1-7,10-11,22,24H,8-9,12H2,(H,21,26)
InChIKeyYAFZVFCDUNEXRQ-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.58
Rot. Bonds6

About 5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide

5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 10237241) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID10237241
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide
SMILESO=C(NCC(=O)N(CCO)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H18ClN3O3/c20-14-6-7-16-13(10-14)11-17(22-16)19(26)21-12-18(25)23(8-9-24)15-4-2-1-3-5-15/h1-7,10-11,22,24H,8-9,12H2,(H,21,26)
InChIKeyYAFZVFCDUNEXRQ-UHFFFAOYSA-N
XLogP2.58
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38631225
5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide
CID 10293735
5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 118425264
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 55556193
5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane
CID 144935836
5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
CID 113207245
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide (CID 10237241) is 5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide is O=C(NCC(=O)N(CCO)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide?
The InChIKey is YAFZVFCDUNEXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-14-6-7-16-13(10-14)11-17(22-16)19(26)21-12-18(25)23(8-9-24)15-4-2-1-3-5-15/h1-7,10-11,22,24H,8-9,12H2,(H,21,26).
What are the key properties of 5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10237241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).