5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide

C18H17ClN2O — CID 118425264

IUPAC5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
SMILESCC(C)(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C18H17ClN2O/c1-18(2,13-6-4-3-5-7-13)21-17(22)16-11-12-10-14(19)8-9-15(12)20-16/h3-11,20H,1-2H3,(H,21,22)
InChIKeyCJSFMLPTPXXLLQ-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.49
Rot. Bonds3

About 5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide

5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide (PubChem CID 118425264) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
PubChem CID118425264
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
SMILESCC(C)(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C18H17ClN2O/c1-18(2,13-6-4-3-5-7-13)21-17(22)16-11-12-10-14(19)8-9-15(12)20-16/h3-11,20H,1-2H3,(H,21,22)
InChIKeyCJSFMLPTPXXLLQ-UHFFFAOYSA-N
XLogP4.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-2-(2-hydroxyphenyl)butanoic acid
CID 70029552
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
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5-chloro-1H-indole-2-carboxylic acid;ethane
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N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide
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CID 10293735
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
5-chloro-1H-indole-2-carboxylate
CID 6933350
5-chloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-1H-indole-2-carboxamide
CID 111458447
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599873
5-chloro-N'-(2,3-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992512

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide (CID 118425264) is 5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide is CC(C)(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.
What is the InChIKey of 5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is CJSFMLPTPXXLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-18(2,13-6-4-3-5-7-13)21-17(22)16-11-12-10-14(19)8-9-15(12)20-16/h3-11,20H,1-2H3,(H,21,22).
What are the key properties of 5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide?
5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 118425264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).