N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide

C14H8ClF3N2O2 — CID 53439408

IUPACN-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
SMILESO=C(NC(=O)c1c(F)cc(F)cc1F)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H8ClF3N2O2/c15-7-1-3-9(4-2-7)19-14(22)20-13(21)12-10(17)5-8(16)6-11(12)18/h1-6H,(H2,19,20,21,22)
InChIKeyZFYAGGCTBMKJQG-UHFFFAOYSA-N
MW328.68 g/mol
LogP3.72
Rot. Bonds2

About N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide

N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide (PubChem CID 53439408) has the molecular formula C14H8ClF3N2O2 and a molecular weight of 328.68 g/mol. Its IUPAC name is N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
PubChem CID53439408
Molecular FormulaC14H8ClF3N2O2
Molecular Weight328.68 g/mol
Exact Mass328.02
IUPAC NameN-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
SMILESO=C(NC(=O)c1c(F)cc(F)cc1F)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H8ClF3N2O2/c15-7-1-3-9(4-2-7)19-14(22)20-13(21)12-10(17)5-8(16)6-11(12)18/h1-6H,(H2,19,20,21,22)
InChIKeyZFYAGGCTBMKJQG-UHFFFAOYSA-N
XLogP3.72
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.68
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2,4,6-trifluorobenzamide
CID 65098972
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
N-(4-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxamide
CID 78843309
N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
CID 12912845
2,5-dichloro-N-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxamide
CID 2800108
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
N-(6-chloropyridazin-3-yl)-2,4,6-trifluorobenzamide
CID 113241160

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide?
The IUPAC name of N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide (CID 53439408) is N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide?
The canonical SMILES for N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide is O=C(NC(=O)c1c(F)cc(F)cc1F)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide?
The InChIKey is ZFYAGGCTBMKJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O2/c15-7-1-3-9(4-2-7)19-14(22)20-13(21)12-10(17)5-8(16)6-11(12)18/h1-6H,(H2,19,20,21,22).
What are the key properties of N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide?
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide has a molecular weight of 328.68 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 53439408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).