2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide

C15H8ClF5N2O2 — CID 19905527

IUPAC2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C15H8ClF5N2O2/c16-9-4-2-1-3-7(9)13(24)23-14(25)22-10-6-5-8(15(19,20)21)11(17)12(10)18/h1-6H,(H2,22,23,24,25)
InChIKeyCSGRNSYYBSXUGK-UHFFFAOYSA-N
MW378.68 g/mol
LogP4.60
Rot. Bonds2

About 2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide

2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide (PubChem CID 19905527) has the molecular formula C15H8ClF5N2O2 and a molecular weight of 378.68 g/mol. Its IUPAC name is 2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide
PubChem CID19905527
Molecular FormulaC15H8ClF5N2O2
Molecular Weight378.68 g/mol
Exact Mass378.02
IUPAC Name2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(C(F)(F)F)c(F)c1F
InChIInChI=1S/C15H8ClF5N2O2/c16-9-4-2-1-3-7(9)13(24)23-14(25)22-10-6-5-8(15(19,20)21)11(17)12(10)18/h1-6H,(H2,22,23,24,25)
InChIKeyCSGRNSYYBSXUGK-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.68
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide
CID 86041149
2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide
CID 86041132
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[[2,4-dibromo-5-(trifluoromethyl)phenyl]carbamoyl]-2-fluorobenzamide
CID 18793629
N-[[1-[3,5-bis(trifluoromethyl)phenyl]-5-chloro-6-oxopyridazin-4-yl]carbamoyl]-2-chlorobenzamide
CID 19885082
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2,4-dichlorobenzoyl)amino]urea
CID 4643198
3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
CID 11617637
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide
CID 14600661
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide
CID 154220951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide (CID 19905527) is 2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1ccc(C(F)(F)F)c(F)c1F.
What is the InChIKey of 2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide?
The InChIKey is CSGRNSYYBSXUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF5N2O2/c16-9-4-2-1-3-7(9)13(24)23-14(25)22-10-6-5-8(15(19,20)21)11(17)12(10)18/h1-6H,(H2,22,23,24,25).
What are the key properties of 2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide?
2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide has a molecular weight of 378.68 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 19905527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).