N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide

C15H7ClF6N2O2 — CID 14099407

IUPACN-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1cc(C(F)(F)F)c(Cl)cc1F
InChIInChI=1S/C15H7ClF6N2O2/c16-7-5-10(19)11(4-6(7)15(20,21)22)23-14(26)24-13(25)12-8(17)2-1-3-9(12)18/h1-5H,(H2,23,24,25,26)
InChIKeyFCROLHGWMGAUCM-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.74
Rot. Bonds2

About N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 14099407) has the molecular formula C15H7ClF6N2O2 and a molecular weight of 396.67 g/mol. Its IUPAC name is N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID14099407
Molecular FormulaC15H7ClF6N2O2
Molecular Weight396.67 g/mol
Exact Mass396.01
IUPAC NameN-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1F)Nc1cc(C(F)(F)F)c(Cl)cc1F
InChIInChI=1S/C15H7ClF6N2O2/c16-7-5-10(19)11(4-6(7)15(20,21)22)23-14(26)24-13(25)12-8(17)2-1-3-9(12)18/h1-5H,(H2,23,24,25,26)
InChIKeyFCROLHGWMGAUCM-UHFFFAOYSA-N
XLogP4.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide (CID 14099407) is N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide is O=C(NC(=O)c1c(F)cccc1F)Nc1cc(C(F)(F)F)c(Cl)cc1F.
What is the InChIKey of N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is FCROLHGWMGAUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF6N2O2/c16-7-5-10(19)11(4-6(7)15(20,21)22)23-14(26)24-13(25)12-8(17)2-1-3-9(12)18/h1-5H,(H2,23,24,25,26).
What are the key properties of N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 396.67 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 14099407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).