N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide

C22H19ClFNO — CID 11233966

IUPACN-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1CCl)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H19ClFNO/c1-15(22(26)25-21-10-6-5-9-18(21)14-23)17-11-12-19(20(24)13-17)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,25,26)
InChIKeyGSXKSRBWZSPZDN-UHFFFAOYSA-N
MW367.85 g/mol
LogP5.97
Rot. Bonds5

About N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide

N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide (PubChem CID 11233966) has the molecular formula C22H19ClFNO and a molecular weight of 367.85 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide
PubChem CID11233966
Molecular FormulaC22H19ClFNO
Molecular Weight367.85 g/mol
Exact Mass367.11
IUPAC NameN-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1CCl)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C22H19ClFNO/c1-15(22(26)25-21-10-6-5-9-18(21)14-23)17-11-12-19(20(24)13-17)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,25,26)
InChIKeyGSXKSRBWZSPZDN-UHFFFAOYSA-N
XLogP5.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.85
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-fluoro-4-phenylphenyl)-N-(2-methylphenyl)propanamide
CID 850709
[2-[2-(3-fluoro-4-phenylphenyl)propanoylamino]phenyl]methyl nitrate
CID 11200241
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 850717
N-(2,4-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 11841736
(2S)-N-(3,5-difluorophenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 985824
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
5-chloro-2-(3-fluoro-4-phenylphenyl)hexan-3-one
CID 143928439
(2R)-2-(3-fluoro-4-phenylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 40961510
benzyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 16753995
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
5-(3-fluoro-4-phenylphenyl)-4-oxohexanoic acid
CID 19785566

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide (CID 11233966) is N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide is CC(C(=O)Nc1ccccc1CCl)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide?
The InChIKey is GSXKSRBWZSPZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFNO/c1-15(22(26)25-21-10-6-5-9-18(21)14-23)17-11-12-19(20(24)13-17)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3,(H,25,26).
What are the key properties of N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide?
N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide has a molecular weight of 367.85 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]-2-(3-fluoro-4-phenylphenyl)propanamide is sourced from PubChem (CID 11233966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).