5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide

C16H21ClN2O3 — CID 111662774

IUPAC5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide
SMILESCC(C)COCC(O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H21ClN2O3/c1-10(2)8-22-9-13(20)7-18-16(21)15-6-11-5-12(17)3-4-14(11)19-15/h3-6,10,13,19-20H,7-9H2,1-2H3,(H,18,21)
InChIKeyKBTVBJAIEZDDEG-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.58
Rot. Bonds7

About 5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide

5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide (PubChem CID 111662774) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide
PubChem CID111662774
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide
SMILESCC(C)COCC(O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C16H21ClN2O3/c1-10(2)8-22-9-13(20)7-18-16(21)15-6-11-5-12(17)3-4-14(11)19-15/h3-6,10,13,19-20H,7-9H2,1-2H3,(H,18,21)
InChIKeyKBTVBJAIEZDDEG-UHFFFAOYSA-N
XLogP2.58
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[(E)-2-methylpent-2-enyl]-1H-indole-2-carboxamide;2-methylbutane
CID 144935836
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
5-chloro-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 38557691
5-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 134002449
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 134002903
3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxypentanoic acid
CID 20627086
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
4-cyano-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-pyrrole-2-carboxamide
CID 111697712

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide (CID 111662774) is 5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide is CC(C)COCC(O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide?
The InChIKey is KBTVBJAIEZDDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-10(2)8-22-9-13(20)7-18-16(21)15-6-11-5-12(17)3-4-14(11)19-15/h3-6,10,13,19-20H,7-9H2,1-2H3,(H,18,21).
What are the key properties of 5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide?
5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 111662774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).