5-chloro-N-cyclopropyl-1H-indole-2-carboxamide

C12H11ClN2O — CID 53016250

IUPAC5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
SMILESO=C(NC1CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C12H11ClN2O/c13-8-1-4-10-7(5-8)6-11(15-10)12(16)14-9-2-3-9/h1,4-6,9,15H,2-3H2,(H,14,16)
InChIKeyAFWRHDIETZNAEG-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.71
Rot. Bonds2

About 5-chloro-N-cyclopropyl-1H-indole-2-carboxamide

5-chloro-N-cyclopropyl-1H-indole-2-carboxamide (PubChem CID 53016250) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
PubChem CID53016250
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
SMILESO=C(NC1CC1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C12H11ClN2O/c13-8-1-4-10-7(5-8)6-11(15-10)12(16)14-9-2-3-9/h1,4-6,9,15H,2-3H2,(H,14,16)
InChIKeyAFWRHDIETZNAEG-UHFFFAOYSA-N
XLogP2.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexyl]-1H-indole-2-carboxamide
CID 169419552
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
N-[(1R,2R)-2-aminocyclopentyl]-5-chloro-1H-indole-2-carboxamide
CID 18442871
N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
CID 18442852
5-chloro-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1H-indole-2-carboxamide
CID 154568197
5-chloro-N-[(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide
CID 129417307
5-chloro-N-[(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-6-yl]-1H-indole-2-carboxamide
CID 129417306
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
N-[(4R)-4-amino-2-oxopyrrolidin-3-yl]-5-chloro-1H-indole-2-carboxamide
CID 141094418
N-[(4S)-1-acetyl-3-hydroxypiperidin-4-yl]-5-chloro-1H-indole-2-carboxamide
CID 163527865
[(1R,2S,5S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-(hydroxymethyl)cyclohexyl]carbamic acid
CID 67056497
[(3S,4S)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-5-oxooxolan-3-yl]carbamic acid
CID 67056443

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-1H-indole-2-carboxamide (CID 53016250) is 5-chloro-N-cyclopropyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-1H-indole-2-carboxamide is O=C(NC1CC1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-cyclopropyl-1H-indole-2-carboxamide?
The InChIKey is AFWRHDIETZNAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-8-1-4-10-7(5-8)6-11(15-10)12(16)14-9-2-3-9/h1,4-6,9,15H,2-3H2,(H,14,16).
What are the key properties of 5-chloro-N-cyclopropyl-1H-indole-2-carboxamide?
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide has a molecular weight of 234.69 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-1H-indole-2-carboxamide is sourced from PubChem (CID 53016250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).