2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide

C14H9ClF3NO2 — CID 134626175

IUPAC2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-12-7-9(3-6-11(12)13(19)20)8-1-4-10(5-2-8)21-14(16,17)18/h1-7H,(H2,19,20)
InChIKeyHBJRJCZOOUGQQT-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.00
Rot. Bonds3

About 2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide

2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 134626175) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is 2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID134626175
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-12-7-9(3-6-11(12)13(19)20)8-1-4-10(5-2-8)21-14(16,17)18/h1-7H,(H2,19,20)
InChIKeyHBJRJCZOOUGQQT-UHFFFAOYSA-N
XLogP4.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
2-bromo-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 170794904
2-[2-chloro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134626173
2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
CID 53222149
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
2-chloro-4-fluorobenzamide;2-[4-(trifluoromethoxy)phenyl]ethenesulfonic acid
CID 174564704
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629442
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide
CID 55641818
benzoic acid;4,5-dichloro-2-[4-(trifluoromethoxy)phenoxy]benzamide
CID 175542248

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide (CID 134626175) is 2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide is NC(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is HBJRJCZOOUGQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-12-7-9(3-6-11(12)13(19)20)8-1-4-10(5-2-8)21-14(16,17)18/h1-7H,(H2,19,20).
What are the key properties of 2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide?
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 315.68 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 134626175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).