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

C22H17ClFNO2 — CID 100913472

IUPAC(2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H17ClFNO2/c1-14(22(27)25-18-10-11-20(24)19(23)13-18)16-8-5-9-17(12-16)21(26)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,27)/t14-/m0/s1
InChIKeyFZHFEYJMSPBJDE-AWEZNQCLSA-N
MW381.83 g/mol
LogP5.45
Rot. Bonds5

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

(2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 100913472) has the molecular formula C22H17ClFNO2 and a molecular weight of 381.83 g/mol. Its IUPAC name is (2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID100913472
Molecular FormulaC22H17ClFNO2
Molecular Weight381.83 g/mol
Exact Mass381.09
IUPAC Name(2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C22H17ClFNO2/c1-14(22(27)25-18-10-11-20(24)19(23)13-18)16-8-5-9-17(12-16)21(26)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,27)/t14-/m0/s1
InChIKeyFZHFEYJMSPBJDE-AWEZNQCLSA-N
XLogP5.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.83
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
CID 837003
(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
CID 1019404
(2R)-2-(3-benzoylphenyl)-N-(5-chloro-2-methylphenyl)propanamide
CID 98001096
4-[[(2S)-2-(3-benzoylphenyl)propanoyl]amino]-N-(4-methoxyphenyl)benzamide
CID 40736580
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
(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
2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705
N-(3-bromo-4-chlorophenyl)-2-phenylpropanamide
CID 114028820
CID 66964934
CID 66964934

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide (CID 100913472) is (2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide is C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of (2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is FZHFEYJMSPBJDE-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H17ClFNO2/c1-14(22(27)25-18-10-11-20(24)19(23)13-18)16-8-5-9-17(12-16)21(26)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,27)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide?
(2S)-2-(3-benzoylphenyl)-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 381.83 g/mol, XLogP of 5.45, 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-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 100913472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).