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

C16H12FN3O2 — CID 46557885

IUPACN-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C16H12FN3O2/c17-11-3-6-13-10(7-11)8-14(20-13)16(22)19-12-4-1-9(2-5-12)15(18)21/h1-8,20H,(H2,18,21)(H,19,22)
InChIKeyJSHIPCITOSANCC-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.66
Rot. Bonds3

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

N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide (PubChem CID 46557885) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
PubChem CID46557885
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC NameN-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1
InChIInChI=1S/C16H12FN3O2/c17-11-3-6-13-10(7-11)8-14(20-13)16(22)19-12-4-1-9(2-5-12)15(18)21/h1-8,20H,(H2,18,21)(H,19,22)
InChIKeyJSHIPCITOSANCC-UHFFFAOYSA-N
XLogP2.66
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
5-fluoro-N-quinolin-6-yl-1H-indole-2-carboxamide
CID 4905152
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
5-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
CID 46557541
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-(4-acetylphenyl)-5-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-1H-indole-2-carboxamide
CID 123401277
N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745097
5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
CID 62057441

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide (CID 46557885) is N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide is NC(=O)c1ccc(NC(=O)c2cc3cc(F)ccc3[nH]2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is JSHIPCITOSANCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c17-11-3-6-13-10(7-11)8-14(20-13)16(22)19-12-4-1-9(2-5-12)15(18)21/h1-8,20H,(H2,18,21)(H,19,22).
What are the key properties of N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide?
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 297.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 46557885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).