5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide

C16H13ClN2O2 — CID 155520678

IUPAC5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccccc1CO)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H13ClN2O2/c17-11-5-6-15-12(7-11)13(8-18-15)16(21)19-14-4-2-1-3-10(14)9-20/h1-8,18,20H,9H2,(H,19,21)
InChIKeyACDUZZHOSPGOKE-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.57
Rot. Bonds3

About 5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide

5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide (PubChem CID 155520678) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide
PubChem CID155520678
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccccc1CO)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H13ClN2O2/c17-11-5-6-15-12(7-11)13(8-18-15)16(21)19-14-4-2-1-3-10(14)9-20/h1-8,18,20H,9H2,(H,19,21)
InChIKeyACDUZZHOSPGOKE-UHFFFAOYSA-N
XLogP3.57
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-1H-indole-3-carbaldehyde
CID 2795374
(S)-4-(1-(5-chloro-1-(3-chlorobenzyl)-1H-indole-7-carboxamido)ethyl)benzoic acid
CID 24765768
4-(1-(5-chloro-1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)cyclopropyl)benzoic acid
CID 25002382
(S)-4-(1-(5-chloro-1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)ethyl)benzoic acid
CID 46890660
2-chloro-5-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]benzoic acid
CID 135675930
N-(4-chlorophenyl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 6484401
(6-chloro-1H-indol-3-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 15951937
(S)-4-(1-(1-(3-chlorobenzyl)-1H-indole-7-carboxamido)ethyl)benzoic acid
CID 24765672
(S)-4-(1-(1-(3-chlorobenzyl)-3-methyl-1H-indole-7-carboxamido)ethyl)benzoic acid
CID 24765766
5-(3-chlorophenyl)-1H-indole-7-carboxamide
CID 54581284
2-(5-chloro-1H-indol-3-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 54771134
N-(2-(5-Chloro-1H-indol-3-yl)ethyl)-3-(phenylamino)benzamide
CID 71451287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide (CID 155520678) is 5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide is O=C(Nc1ccccc1CO)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is ACDUZZHOSPGOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-11-5-6-15-12(7-11)13(8-18-15)16(21)19-14-4-2-1-3-10(14)9-20/h1-8,18,20H,9H2,(H,19,21).
What are the key properties of 5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide?
5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 3.57, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(hydroxymethyl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 155520678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).