5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide

C15H9ClF2N2O — CID 113207264

IUPAC5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H9ClF2N2O/c16-9-1-4-13-8(5-9)6-14(20-13)15(21)19-10-2-3-11(17)12(18)7-10/h1-7,20H,(H,19,21)
InChIKeyVNSLKLNLLRSRLX-UHFFFAOYSA-N
MW306.70 g/mol
LogP4.35
Rot. Bonds2

About 5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide

5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide (PubChem CID 113207264) has the molecular formula C15H9ClF2N2O and a molecular weight of 306.70 g/mol. Its IUPAC name is 5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
PubChem CID113207264
Molecular FormulaC15H9ClF2N2O
Molecular Weight306.70 g/mol
Exact Mass306.04
IUPAC Name5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H9ClF2N2O/c16-9-1-4-13-8(5-9)6-14(20-13)15(21)19-10-2-3-11(17)12(18)7-10/h1-7,20H,(H,19,21)
InChIKeyVNSLKLNLLRSRLX-UHFFFAOYSA-N
XLogP4.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1H-indole-2-carboxamide
CID 38631225
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
5-chloro-N-[4-(diethylamino)phenyl]-1H-indole-2-carboxamide
CID 113207245
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786
N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
CID 55556002
N-(3-chloro-4-fluorophenyl)-6-fluoro-1H-indole-2-carboxamide
CID 113207472
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide
CID 7679189
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
5-chloro-N'-(2,3-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992512
N-(3,4-difluorophenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 78802764
N-(2-benzamido-1,3-benzothiazol-6-yl)-5-chloro-1H-indole-2-carboxamide
CID 46290900

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide (CID 113207264) is 5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide?
The InChIKey is VNSLKLNLLRSRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N2O/c16-9-1-4-13-8(5-9)6-14(20-13)15(21)19-10-2-3-11(17)12(18)7-10/h1-7,20H,(H,19,21).
What are the key properties of 5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide?
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide has a molecular weight of 306.70 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113207264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).