5-chloro-N-propan-2-yl-1H-indole-3-carboxamide

C12H13ClN2O — CID 69197000

IUPAC5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H13ClN2O/c1-7(2)15-12(16)10-6-14-11-4-3-8(13)5-9(10)11/h3-7,14H,1-2H3,(H,15,16)
InChIKeyBMPMJOQEPDKDDC-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.96
Rot. Bonds2

About 5-chloro-N-propan-2-yl-1H-indole-3-carboxamide

5-chloro-N-propan-2-yl-1H-indole-3-carboxamide (PubChem CID 69197000) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 5-chloro-N-propan-2-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
PubChem CID69197000
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H13ClN2O/c1-7(2)15-12(16)10-6-14-11-4-3-8(13)5-9(10)11/h3-7,14H,1-2H3,(H,15,16)
InChIKeyBMPMJOQEPDKDDC-UHFFFAOYSA-N
XLogP2.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one
CID 169025511
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770
CID 162765558
CID 162765558
N-butan-2-yl-6-chloro-1H-indole-3-carboxamide
CID 113206344
5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205929
ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate
CID 75976916
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
2-(5-chloro-1H-indol-3-yl)-N-(2-methoxyethyl)-2-oxoacetamide
CID 113208212
5-chloro-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113205803
N-(3-acetylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205903
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propan-2-yl-1H-indole-3-carboxamide?
The IUPAC name of 5-chloro-N-propan-2-yl-1H-indole-3-carboxamide (CID 69197000) is 5-chloro-N-propan-2-yl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-propan-2-yl-1H-indole-3-carboxamide?
The canonical SMILES for 5-chloro-N-propan-2-yl-1H-indole-3-carboxamide is CC(C)NC(=O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-propan-2-yl-1H-indole-3-carboxamide?
The InChIKey is BMPMJOQEPDKDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-7(2)15-12(16)10-6-14-11-4-3-8(13)5-9(10)11/h3-7,14H,1-2H3,(H,15,16).
What are the key properties of 5-chloro-N-propan-2-yl-1H-indole-3-carboxamide?
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide has a molecular weight of 236.70 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propan-2-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 69197000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).