4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide

C15H13ClFNO — CID 4780866

IUPAC4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO/c1-10(11-4-8-14(17)9-5-11)18-15(19)12-2-6-13(16)7-3-12/h2-10H,1H3,(H,18,19)
InChIKeyYYPQGOQESKTAIS-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.97
Rot. Bonds3

About 4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide

4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 4780866) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
PubChem CID4780866
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H13ClFNO/c1-10(11-4-8-14(17)9-5-11)18-15(19)12-2-6-13(16)7-3-12/h2-10H,1H3,(H,18,19)
InChIKeyYYPQGOQESKTAIS-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92672272
3-bromo-4-fluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 103706387
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
4-chloro-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide
CID 15955648
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide (CID 4780866) is 4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is YYPQGOQESKTAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10(11-4-8-14(17)9-5-11)18-15(19)12-2-6-13(16)7-3-12/h2-10H,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide?
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 277.73 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 4780866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).