N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide

C16H13FN2O — CID 60764843

IUPACN-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H13FN2O/c17-14-3-1-2-11(8-14)10-19-16(20)13-5-4-12-6-7-18-15(12)9-13/h1-9,18H,10H2,(H,19,20)
InChIKeyOCXMSBKZANOPET-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.24
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide

N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide (PubChem CID 60764843) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
PubChem CID60764843
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C16H13FN2O/c17-14-3-1-2-11(8-14)10-19-16(20)13-5-4-12-6-7-18-15(12)9-13/h1-9,18H,10H2,(H,19,20)
InChIKeyOCXMSBKZANOPET-UHFFFAOYSA-N
XLogP3.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63716942
3-[(1H-indole-6-carbonylamino)methyl]benzoic acid
CID 84761714
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63718652
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
2-chloro-4-N-(1H-indol-6-ylmethyl)benzene-1,4-dicarboxamide
CID 141037783
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide (CID 60764843) is N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide is O=C(NCc1cccc(F)c1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide?
The InChIKey is OCXMSBKZANOPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-3-1-2-11(8-14)10-19-16(20)13-5-4-12-6-7-18-15(12)9-13/h1-9,18H,10H2,(H,19,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide?
N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 60764843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).