2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide

C14H9ClF3NO — CID 118822528

IUPAC2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C14H9ClF3NO/c15-12-6-3-9(7-11(12)13(19)20)8-1-4-10(5-2-8)14(16,17)18/h1-7H,(H2,19,20)
InChIKeyMPCBDHZPHWXDAN-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.12
Rot. Bonds2

About 2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide

2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 118822528) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is 2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID118822528
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C14H9ClF3NO/c15-12-6-3-9(7-11(12)13(19)20)8-1-4-10(5-2-8)14(16,17)18/h1-7H,(H2,19,20)
InChIKeyMPCBDHZPHWXDAN-UHFFFAOYSA-N
XLogP4.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
5-chloro-2-hydroxy-3-[4-(trifluoromethyl)phenyl]benzamide
CID 23073720
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507
4-(3-carbamoyl-4-chlorophenyl)-2-chlorobenzoic acid
CID 53228066
2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid
CID 118813097
2-chloro-4-[4-(trifluoromethyl)phenyl]aniline
CID 23626608
2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
CID 53222149
5-[4-[2-[4-(3-carbamoyl-4-hydroxyphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2-hydroxybenzamide
CID 87103449
2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
CID 134626188
2-methoxy-5-[4-(trifluoromethyl)phenyl]benzoyl chloride
CID 86032170
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide (CID 118822528) is 2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide is NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MPCBDHZPHWXDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-12-6-3-9(7-11(12)13(19)20)8-1-4-10(5-2-8)14(16,17)18/h1-7H,(H2,19,20).
What are the key properties of 2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide?
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 299.68 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118822528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).