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

C16H12ClFN2O — CID 63718652

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H12ClFN2O/c17-13-7-10(1-3-14(13)18)9-20-16(21)12-2-4-15-11(8-12)5-6-19-15/h1-8,19H,9H2,(H,20,21)
InChIKeyASBXNANKQWGSOS-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.89
Rot. Bonds3

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

N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide (PubChem CID 63718652) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
PubChem CID63718652
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
SMILESO=C(NCc1ccc(F)c(Cl)c1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C16H12ClFN2O/c17-13-7-10(1-3-14(13)18)9-20-16(21)12-2-4-15-11(8-12)5-6-19-15/h1-8,19H,9H2,(H,20,21)
InChIKeyASBXNANKQWGSOS-UHFFFAOYSA-N
XLogP3.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
N-[(2,4-diaminoquinazolin-6-yl)methyl]-1H-indole-5-carboxamide
CID 172622957
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
4-(aminomethyl)-N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62537954
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide
CID 141037783
3-chloro-4-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231671
3-chloro-4-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115731912

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide (CID 63718652) is N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide is O=C(NCc1ccc(F)c(Cl)c1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide?
The InChIKey is ASBXNANKQWGSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-13-7-10(1-3-14(13)18)9-20-16(21)12-2-4-15-11(8-12)5-6-19-15/h1-8,19H,9H2,(H,20,21).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide has a molecular weight of 302.74 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 63718652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).