(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide

C23H20FNO2 — CID 98001029

IUPAC(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1cccc(F)c1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H20FNO2/c1-16(23(27)25-15-17-7-5-12-21(24)13-17)19-10-6-11-20(14-19)22(26)18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m0/s1
InChIKeyLYYAJWOQZKOEJO-INIZCTEOSA-N
MW361.42 g/mol
LogP4.48
Rot. Bonds6

About (2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide

(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide (PubChem CID 98001029) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is (2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide
PubChem CID98001029
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1cccc(F)c1)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C23H20FNO2/c1-16(23(27)25-15-17-7-5-12-21(24)13-17)19-10-6-11-20(14-19)22(26)18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m0/s1
InChIKeyLYYAJWOQZKOEJO-INIZCTEOSA-N
XLogP4.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methylcarbamoyl]-3-methylbutanoic acid
CID 115186223
(2S)-2-(3-benzoylphenyl)-N-(4-fluorophenyl)propanamide
CID 837003
2-amino-N-[(3-fluorophenyl)methyl]propanamide
CID 43123316
(2S)-2-amino-4-[2-(3-benzoylphenyl)propanoylamino]butanoic acid
CID 155451997
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
2-(3-fluorophenyl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]propanamide
CID 166214452
CID 66964934
CID 66964934
CID 157056025
CID 157056025
2-(3-fluorophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500340
(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
CID 1019404
4-amino-N-[(3-fluorophenyl)methyl]-4-phenylbutanamide
CID 63324328

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide (CID 98001029) is (2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide is C[C@H](C(=O)NCc1cccc(F)c1)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of (2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide?
The InChIKey is LYYAJWOQZKOEJO-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-16(23(27)25-15-17-7-5-12-21(24)13-17)19-10-6-11-20(14-19)22(26)18-8-3-2-4-9-18/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m0/s1.
What are the key properties of (2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide?
(2S)-2-(3-benzoylphenyl)-N-[(3-fluorophenyl)methyl]propanamide has a molecular weight of 361.42 g/mol, XLogP of 4.48, 6 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-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 98001029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).