5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide

C17H14ClFN2O — CID 123567229

IUPAC5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H14ClFN2O/c1-10(11-5-3-2-4-6-11)20-17(22)15-9-12-14(21-15)8-7-13(18)16(12)19/h2-10,21H,1H3,(H,20,22)
InChIKeyBBPJEAGSNOEJNS-UHFFFAOYSA-N
MW316.76 g/mol
LogP4.45
Rot. Bonds3

About 5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide

5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide (PubChem CID 123567229) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
PubChem CID123567229
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C17H14ClFN2O/c1-10(11-5-3-2-4-6-11)20-17(22)15-9-12-14(21-15)8-7-13(18)16(12)19/h2-10,21H,1H3,(H,20,22)
InChIKeyBBPJEAGSNOEJNS-UHFFFAOYSA-N
XLogP4.45
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
5-chloro-7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide
CID 118425259
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
4-oxo-6-[[(1R)-1-phenylethyl]carbamoyl]-1H-pyridine-2-carboxylic acid
CID 59356747
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide
CID 2333383
3,4,5-trifluoro-N-(1-phenylethyl)benzamide
CID 63188112
4,5-difluoro-N-methyl-1H-indole-2-carboxamide
CID 171750600

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide (CID 123567229) is 5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide is CC(NC(=O)c1cc2c(F)c(Cl)ccc2[nH]1)c1ccccc1.
What is the InChIKey of 5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide?
The InChIKey is BBPJEAGSNOEJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-10(11-5-3-2-4-6-11)20-17(22)15-9-12-14(21-15)8-7-13(18)16(12)19/h2-10,21H,1H3,(H,20,22).
What are the key properties of 5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide?
5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide has a molecular weight of 316.76 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 123567229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).