N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide

C15H11ClF2N2O2 — CID 23276006

IUPACN-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C15H11ClF2N2O2/c1-8-7-9(5-6-10(8)16)19-15(22)20-14(21)13-11(17)3-2-4-12(13)18/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyOQFGUJABEGAYGL-UHFFFAOYSA-N
MW324.71 g/mol
LogP3.89
Rot. Bonds2

About N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide

N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide (PubChem CID 23276006) has the molecular formula C15H11ClF2N2O2 and a molecular weight of 324.71 g/mol. Its IUPAC name is N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
PubChem CID23276006
Molecular FormulaC15H11ClF2N2O2
Molecular Weight324.71 g/mol
Exact Mass324.05
IUPAC NameN-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C15H11ClF2N2O2/c1-8-7-9(5-6-10(8)16)19-15(22)20-14(21)13-11(17)3-2-4-12(13)18/h2-7H,1H3,(H2,19,20,21,22)
InChIKeyOQFGUJABEGAYGL-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
1-(4-chloro-3-methylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860179
N-[[4-(4-chloronaphthalen-1-yl)oxy-3,5-dimethylphenyl]carbamoyl]-2,6-difluorobenzamide
CID 13262079
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 20524527
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
N-[[4-[carbamoyl-(3,4-dichlorophenyl)carbamoyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 142626372
N-[[5-(2,4-dichlorophenyl)-4-methylthiophen-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 14600655

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide (CID 23276006) is N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide is Cc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide?
The InChIKey is OQFGUJABEGAYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2/c1-8-7-9(5-6-10(8)16)19-15(22)20-14(21)13-11(17)3-2-4-12(13)18/h2-7H,1H3,(H2,19,20,21,22).
What are the key properties of N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide?
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide has a molecular weight of 324.71 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 23276006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).