2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide

C15H12F2N2O2 — CID 78802909

IUPAC2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C15H12F2N2O2/c1-18-14(20)9-2-5-11(6-3-9)19-15(21)12-8-10(16)4-7-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyDTFDPSXQHPECAP-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.58
Rot. Bonds3

About 2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide

2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide (PubChem CID 78802909) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
PubChem CID78802909
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1ccc(NC(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C15H12F2N2O2/c1-18-14(20)9-2-5-11(6-3-9)19-15(21)12-8-10(16)4-7-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyDTFDPSXQHPECAP-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 42370376
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-[4-(chloromethyl)phenyl]-2,5-difluorobenzamide
CID 114299996
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056
5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 118684023
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide (CID 78802909) is 2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1ccc(NC(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of 2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is DTFDPSXQHPECAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c1-18-14(20)9-2-5-11(6-3-9)19-15(21)12-8-10(16)4-7-13(12)17/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide?
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 290.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 78802909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).