4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide

C16H12ClF3N2O2 — CID 2992727

IUPAC4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12ClF3N2O2/c17-12-6-4-10(5-7-12)15(24)21-9-14(23)22-13-3-1-2-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyKLIBLKVEZZFMPQ-UHFFFAOYSA-N
MW356.73 g/mol
LogP3.73
Rot. Bonds4

About 4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide

4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide (PubChem CID 2992727) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
PubChem CID2992727
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC Name4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12ClF3N2O2/c17-12-6-4-10(5-7-12)15(24)21-9-14(23)22-13-3-1-2-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23)
InChIKeyKLIBLKVEZZFMPQ-UHFFFAOYSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
CID 7900650
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
2-[(4-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998161
2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 24615496
2,4-difluoro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 55529533
3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2366241
4-tert-butyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)phenyl]carbamothioyl]hydrazinyl]ethyl]benzamide
CID 43948662
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 42765964
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 42702821
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide (CID 2992727) is 4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide?
The InChIKey is KLIBLKVEZZFMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c17-12-6-4-10(5-7-12)15(24)21-9-14(23)22-13-3-1-2-11(8-13)16(18,19)20/h1-8H,9H2,(H,21,24)(H,22,23).
What are the key properties of 4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide?
4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide has a molecular weight of 356.73 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 2992727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).