5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

C16H12ClF4NO — CID 25444134

IUPAC5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12ClF4NO/c1-9(10-3-2-4-11(7-10)16(19,20)21)22-15(23)13-8-12(17)5-6-14(13)18/h2-9H,1H3,(H,22,23)/t9-/m1/s1
InChIKeyXOSKWJMVRSKZCR-SECBINFHSA-N
MW345.72 g/mol
LogP4.99
Rot. Bonds3

About 5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide

5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 25444134) has the molecular formula C16H12ClF4NO and a molecular weight of 345.72 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID25444134
Molecular FormulaC16H12ClF4NO
Molecular Weight345.72 g/mol
Exact Mass345.05
IUPAC Name5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H12ClF4NO/c1-9(10-3-2-4-11(7-10)16(19,20)21)22-15(23)13-8-12(17)5-6-14(13)18/h2-9H,1H3,(H,22,23)/t9-/m1/s1
InChIKeyXOSKWJMVRSKZCR-SECBINFHSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.72
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2,5-dimethyl-1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrole-3-carboxamide
CID 112764014
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 166229323
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732062

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide (CID 25444134) is 5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is XOSKWJMVRSKZCR-SECBINFHSA-N. The full InChI is InChI=1S/C16H12ClF4NO/c1-9(10-3-2-4-11(7-10)16(19,20)21)22-15(23)13-8-12(17)5-6-14(13)18/h2-9H,1H3,(H,22,23)/t9-/m1/s1.
What are the key properties of 5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide?
5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 345.72 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 25444134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).