2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide

C15H9ClF4N2O3 — CID 13251606

IUPAC2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1cc(F)ccc1Cl)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H9ClF4N2O3/c16-12-6-1-8(17)7-11(12)13(23)22-14(24)21-9-2-4-10(5-3-9)25-15(18,19)20/h1-7H,(H2,21,22,23,24)
InChIKeyCYFBGSWQUNTVTI-UHFFFAOYSA-N
MW376.69 g/mol
LogP4.34
Rot. Bonds3

About 2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide

2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide (PubChem CID 13251606) has the molecular formula C15H9ClF4N2O3 and a molecular weight of 376.69 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
PubChem CID13251606
Molecular FormulaC15H9ClF4N2O3
Molecular Weight376.69 g/mol
Exact Mass376.02
IUPAC Name2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1cc(F)ccc1Cl)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H9ClF4N2O3/c16-12-6-1-8(17)7-11(12)13(23)22-14(24)21-9-2-4-10(5-3-9)25-15(18,19)20/h1-7H,(H2,21,22,23,24)
InChIKeyCYFBGSWQUNTVTI-UHFFFAOYSA-N
XLogP4.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.69
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643241
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
2-amino-4-fluoro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 118582181
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
1-(2-chloro-4-fluorophenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 53489241
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
1-[5,6-dichloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2160806
2-chloro-N-[(2E)-2-(3-fluorophenyl)-2-[[4-(trifluoromethoxy)phenyl]carbamoylhydrazinylidene]ethyl]benzamide
CID 134123737
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide
CID 11681381
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide (CID 13251606) is 2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1cc(F)ccc1Cl)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide?
The InChIKey is CYFBGSWQUNTVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N2O3/c16-12-6-1-8(17)7-11(12)13(23)22-14(24)21-9-2-4-10(5-3-9)25-15(18,19)20/h1-7H,(H2,21,22,23,24).
What are the key properties of 2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide?
2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide has a molecular weight of 376.69 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 13251606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).