3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide

C13H15ClN2O2 — CID 110900786

IUPAC3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
SMILESCC(O)CNC(=O)c1c(Cl)c2ccccc2n1C
InChIInChI=1S/C13H15ClN2O2/c1-8(17)7-15-13(18)12-11(14)9-5-3-4-6-10(9)16(12)2/h3-6,8,17H,7H2,1-2H3,(H,15,18)
InChIKeyBDJBRRZKRCDDSI-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.94
Rot. Bonds3

About 3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide

3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide (PubChem CID 110900786) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
PubChem CID110900786
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide
SMILESCC(O)CNC(=O)c1c(Cl)c2ccccc2n1C
InChIInChI=1S/C13H15ClN2O2/c1-8(17)7-15-13(18)12-11(14)9-5-3-4-6-10(9)16(12)2/h3-6,8,17H,7H2,1-2H3,(H,15,18)
InChIKeyBDJBRRZKRCDDSI-UHFFFAOYSA-N
XLogP1.94
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-hydroxy-2-methylpentyl)-1-methylindole-2-carboxamide
CID 111447034
3-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 51123400
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide
CID 55665915
3-chloro-N'-(4-chlorobenzoyl)-1-methylindole-2-carbohydrazide
CID 55666003
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylindole-2-carboxamide
CID 86822495
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
CID 111429528
methyl 2-[[2-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55964473
[(2R)-3-oxobutan-2-yl] 3-chloro-1-methylindole-2-carboxylate
CID 94099823
N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide
CID 110469008
N-(1-adamantyl)-3-chloro-1-methylindole-2-carboxamide
CID 154834350
3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide
CID 55663277
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide (CID 110900786) is 3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide is CC(O)CNC(=O)c1c(Cl)c2ccccc2n1C.
What is the InChIKey of 3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide?
The InChIKey is BDJBRRZKRCDDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8(17)7-15-13(18)12-11(14)9-5-3-4-6-10(9)16(12)2/h3-6,8,17H,7H2,1-2H3,(H,15,18).
What are the key properties of 3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide?
3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxypropyl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 110900786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).