N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide

C15H13FN2O2 — CID 115745097

IUPACN-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H13FN2O2/c1-9-8-11(16)4-7-13(9)15(20)18-12-5-2-10(3-6-12)14(17)19/h2-8H,1H3,(H2,17,19)(H,18,20)
InChIKeyNQYRXFXCVGOAGB-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.49
Rot. Bonds3

About N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide

N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide (PubChem CID 115745097) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
PubChem CID115745097
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC NameN-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H13FN2O2/c1-9-8-11(16)4-7-13(9)15(20)18-12-5-2-10(3-6-12)14(17)19/h2-8H,1H3,(H2,17,19)(H,18,20)
InChIKeyNQYRXFXCVGOAGB-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide
CID 115745419
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 115745629
N-(2-carbamoylphenyl)-4-fluoro-2-methylbenzamide
CID 115745249
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 115745574
N-(4-carbamothioylphenyl)-4-fluoro-2-hydroxybenzamide
CID 107014847
N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-2-methylbenzamide
CID 115745290
N-(4-carbamoylphenyl)-N'-(4-fluorophenyl)oxamide
CID 45001370
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 137406676

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide (CID 115745097) is N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide?
The InChIKey is NQYRXFXCVGOAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-9-8-11(16)4-7-13(9)15(20)18-12-5-2-10(3-6-12)14(17)19/h2-8H,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide?
N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide has a molecular weight of 272.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 115745097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).