(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide

C21H22FN3O — CID 42596150

IUPAC(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
SMILESCCn1ccnc1CNC(=O)C[C@H](c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H22FN3O/c1-2-25-13-12-23-20(25)15-24-21(26)14-18(16-8-4-3-5-9-16)17-10-6-7-11-19(17)22/h3-13,18H,2,14-15H2,1H3,(H,24,26)/t18-/m1/s1
InChIKeyVEDMMHGTHIUOII-GOSISDBHSA-N
MW351.43 g/mol
LogP3.88
Rot. Bonds7

About (3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide

(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide (PubChem CID 42596150) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is (3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
PubChem CID42596150
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
SMILESCCn1ccnc1CNC(=O)C[C@H](c1ccccc1)c1ccccc1F
InChIInChI=1S/C21H22FN3O/c1-2-25-13-12-23-20(25)15-24-21(26)14-18(16-8-4-3-5-9-16)17-10-6-7-11-19(17)22/h3-13,18H,2,14-15H2,1H3,(H,24,26)/t18-/m1/s1
InChIKeyVEDMMHGTHIUOII-GOSISDBHSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide 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

3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 45228340
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 26411426
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598
3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 45177870
N-ethyl-2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanamine
CID 79752469
(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 136831938
4-(1-ethylimidazol-2-yl)-2-phenylbutanoic acid
CID 81009407
N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 154879514
(3R)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 97270529
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 72850665
4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
CID 116552958

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of (3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide (CID 42596150) is (3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide is CCn1ccnc1CNC(=O)C[C@H](c1ccccc1)c1ccccc1F.
What is the InChIKey of (3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
The InChIKey is VEDMMHGTHIUOII-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-2-25-13-12-23-20(25)15-24-21(26)14-18(16-8-4-3-5-9-16)17-10-6-7-11-19(17)22/h3-13,18H,2,14-15H2,1H3,(H,24,26)/t18-/m1/s1.
What are the key properties of (3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide?
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide has a molecular weight of 351.43 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 42596150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).