1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide

C22H16ClFN2O — CID 145364579

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(ccn2Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C22H16ClFN2O/c23-19-8-6-15(12-20(19)24)14-26-11-10-16-13-17(7-9-21(16)26)22(27)25-18-4-2-1-3-5-18/h1-13H,14H2,(H,25,27)
InChIKeyKXEIYKYLMZSIGL-UHFFFAOYSA-N
MW378.83 g/mol
LogP5.73
Rot. Bonds4

About 1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide

1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide (PubChem CID 145364579) has the molecular formula C22H16ClFN2O and a molecular weight of 378.83 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide
PubChem CID145364579
Molecular FormulaC22H16ClFN2O
Molecular Weight378.83 g/mol
Exact Mass378.09
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(ccn2Cc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C22H16ClFN2O/c23-19-8-6-15(12-20(19)24)14-26-11-10-16-13-17(7-9-21(16)26)22(27)25-18-4-2-1-3-5-18/h1-13H,14H2,(H,25,27)
InChIKeyKXEIYKYLMZSIGL-UHFFFAOYSA-N
XLogP5.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.83
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
CID 90075227
1-[(4-chloro-3-fluorophenyl)methyl]indole-5-carbothioamide
CID 107920577
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
1-benzyl-N-methylsulfonylindole-5-carboxamide
CID 171343054
5-chloro-1-[(3,4-dichlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1482997
4-chloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzamide
CID 114025222
4-[(5-acetamidoindol-1-yl)methyl]benzamide
CID 71812129
5-chloro-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 1486006
1-[(4-iodophenyl)methyl]indole-5-carboxylic acid
CID 65477829
1-[[4-(aminomethyl)phenyl]methyl]indole-5-carboxamide
CID 171342626
2-(1-benzylindol-5-yl)acetic acid
CID 71441824

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide (CID 145364579) is 1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide is O=C(Nc1ccccc1)c1ccc2c(ccn2Cc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide?
The InChIKey is KXEIYKYLMZSIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O/c23-19-8-6-15(12-20(19)24)14-26-11-10-16-13-17(7-9-21(16)26)22(27)25-18-4-2-1-3-5-18/h1-13H,14H2,(H,25,27).
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide?
1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide has a molecular weight of 378.83 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide is sourced from PubChem (CID 145364579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).