3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide

C18H19ClN2O2 — CID 37193661

IUPAC3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide
SMILESC[C@H](CNC(=O)c1ccc(O)c(Cl)c1)N1CCc2ccccc21
InChIInChI=1S/C18H19ClN2O2/c1-12(21-9-8-13-4-2-3-5-16(13)21)11-20-18(23)14-6-7-17(22)15(19)10-14/h2-7,10,12,22H,8-9,11H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyQITDCXXMVWLXQA-GFCCVEGCSA-N
MW330.82 g/mol
LogP3.23
Rot. Bonds4

About 3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide

3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide (PubChem CID 37193661) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide
PubChem CID37193661
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide
SMILESC[C@H](CNC(=O)c1ccc(O)c(Cl)c1)N1CCc2ccccc21
InChIInChI=1S/C18H19ClN2O2/c1-12(21-9-8-13-4-2-3-5-16(13)21)11-20-18(23)14-6-7-17(22)15(19)10-14/h2-7,10,12,22H,8-9,11H2,1H3,(H,20,23)/t12-/m1/s1
InChIKeyQITDCXXMVWLXQA-GFCCVEGCSA-N
XLogP3.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-hydroxy-4-nitrobenzamide
CID 37204760
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-hydroxybenzamide
CID 47078456
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
CID 119946701
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide
CID 112819645
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976526
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
CID 78860902
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884
3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide
CID 106287730
3-chloro-N-(4-chloro-2-methylbutyl)-4-hydroxybenzamide
CID 114306044
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 119856819

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide (CID 37193661) is 3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide is C[C@H](CNC(=O)c1ccc(O)c(Cl)c1)N1CCc2ccccc21.
What is the InChIKey of 3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide?
The InChIKey is QITDCXXMVWLXQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(21-9-8-13-4-2-3-5-16(13)21)11-20-18(23)14-6-7-17(22)15(19)10-14/h2-7,10,12,22H,8-9,11H2,1H3,(H,20,23)/t12-/m1/s1.
What are the key properties of 3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide?
3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide is sourced from PubChem (CID 37193661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).