(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide

C22H18FNO2 — CID 837003

IUPAC(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H18FNO2/c1-15(22(26)24-20-12-10-19(23)11-13-20)17-8-5-9-18(14-17)21(25)16-6-3-2-4-7-16/h2-15H,1H3,(H,24,26)/t15-/m0/s1
InChIKeyAHWRQIAWMVRZEM-HNNXBMFYSA-N
MW347.39 g/mol
LogP4.80
Rot. Bonds5

About (2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide

(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide (PubChem CID 837003) has the molecular formula C22H18FNO2 and a molecular weight of 347.39 g/mol. Its IUPAC name is (2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
PubChem CID837003
Molecular FormulaC22H18FNO2
Molecular Weight347.39 g/mol
Exact Mass347.13
IUPAC Name(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H18FNO2/c1-15(22(26)24-20-12-10-19(23)11-13-20)17-8-5-9-18(14-17)21(25)16-6-3-2-4-7-16/h2-15H,1H3,(H,24,26)/t15-/m0/s1
InChIKeyAHWRQIAWMVRZEM-HNNXBMFYSA-N
XLogP4.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
CID 1019404
(2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 100913472
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 40736580
(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 98001029
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 1019515
CID 66964934
CID 66964934
CID 157056025
CID 157056025

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide (CID 837003) is (2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide is C[C@H](C(=O)Nc1ccc(F)cc1)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of (2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide?
The InChIKey is AHWRQIAWMVRZEM-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H18FNO2/c1-15(22(26)24-20-12-10-19(23)11-13-20)17-8-5-9-18(14-17)21(25)16-6-3-2-4-7-16/h2-15H,1H3,(H,24,26)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide?
(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide has a molecular weight of 347.39 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 837003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).