(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide

C22H21FN2O — CID 9445795

IUPAC(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
SMILESC[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C22H21FN2O/c1-16(22(26)25-20-14-8-13-19(23)15-20)24-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-16,21,24H,1H3,(H,25,26)/t16-/m0/s1
InChIKeyPTNXJXOOQJQQRD-INIZCTEOSA-N
MW348.42 g/mol
LogP4.53
Rot. Bonds6

About (2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide

(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide (PubChem CID 9445795) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is (2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
PubChem CID9445795
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC Name(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
SMILESC[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C22H21FN2O/c1-16(22(26)25-20-14-8-13-19(23)15-20)24-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-16,21,24H,1H3,(H,25,26)/t16-/m0/s1
InChIKeyPTNXJXOOQJQQRD-INIZCTEOSA-N
XLogP4.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
(2R)-2-(benzhydrylamino)-N-(3-methoxyphenyl)propanamide
CID 8545508
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
(2R)-2-(benzhydrylamino)-N-(2,6-difluorophenyl)propanamide
CID 9445859
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393342
4-[[(2R)-2-(benzhydrylamino)propanoyl]amino]benzamide
CID 7971112
(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide
CID 9445871
(2S)-N-(4-acetylphenyl)-2-(benzhydrylamino)propanamide
CID 7516109
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
N-(3-fluorophenyl)-2-(4-methylanilino)propanamide
CID 51242421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide (CID 9445795) is (2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide is C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of (2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide?
The InChIKey is PTNXJXOOQJQQRD-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-16(22(26)25-20-14-8-13-19(23)15-20)24-21(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-16,21,24H,1H3,(H,25,26)/t16-/m0/s1.
What are the key properties of (2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide?
(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide has a molecular weight of 348.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 9445795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).