4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide

C15H13ClFNO — CID 26004040

IUPAC4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C15H13ClFNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-8-7-12(16)9-14(13)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyJFOPRNKZPFPHGR-SNVBAGLBSA-N
MW277.73 g/mol
LogP3.97
Rot. Bonds3

About 4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide

4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 26004040) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
PubChem CID26004040
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C15H13ClFNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-8-7-12(16)9-14(13)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1
InChIKeyJFOPRNKZPFPHGR-SNVBAGLBSA-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

2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
CID 133262276
4-cyano-2-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 7393089
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2,3,4,5-tetrafluoro-N-[(1S)-1-phenylethyl]benzamide
CID 2333383
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
5-chloro-2-[2-(2-fluorophenyl)ethoxy]-N-[(1S)-1-phenylethyl]benzamide
CID 141125141
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide
CID 141125104

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide (CID 26004040) is 4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccccc1.
What is the InChIKey of 4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is JFOPRNKZPFPHGR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-10(11-5-3-2-4-6-11)18-15(19)13-8-7-12(16)9-14(13)17/h2-10H,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide?
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]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-2-fluoro-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 26004040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).