N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide

C21H22FN3O — CID 51591760

IUPACN-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
SMILESC[C@H](CCc1ccc(F)cc1)NC(=O)c1ccccc1Cn1ccnc1
InChIInChI=1S/C21H22FN3O/c1-16(6-7-17-8-10-19(22)11-9-17)24-21(26)20-5-3-2-4-18(20)14-25-13-12-23-15-25/h2-5,8-13,15-16H,6-7,14H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeySGEDPBOJGXBLIU-MRXNPFEDSA-N
MW351.43 g/mol
LogP3.82
Rot. Bonds7

About N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide

N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide (PubChem CID 51591760) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
PubChem CID51591760
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
SMILESC[C@H](CCc1ccc(F)cc1)NC(=O)c1ccccc1Cn1ccnc1
InChIInChI=1S/C21H22FN3O/c1-16(6-7-17-8-10-19(22)11-9-17)24-21(26)20-5-3-2-4-18(20)14-25-13-12-23-15-25/h2-5,8-13,15-16H,6-7,14H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeySGEDPBOJGXBLIU-MRXNPFEDSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide 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

N-[1-(1-ethylindol-3-yl)propan-2-yl]-2-(imidazol-1-ylmethyl)benzamide
CID 46957121
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
methyl 3-[2-(imidazol-1-ylmethyl)phenyl]-2-methyl-3-oxopropanoate
CID 134280288
2-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 4079657
N-[(2R)-butan-2-yl]-4-(imidazol-1-ylmethyl)benzamide
CID 93490070
[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
CID 16747937
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208
2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide
CID 47036680
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 94019464
1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 46388387

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide (CID 51591760) is N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide is C[C@H](CCc1ccc(F)cc1)NC(=O)c1ccccc1Cn1ccnc1.
What is the InChIKey of N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide?
The InChIKey is SGEDPBOJGXBLIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-16(6-7-17-8-10-19(22)11-9-17)24-21(26)20-5-3-2-4-18(20)14-25-13-12-23-15-25/h2-5,8-13,15-16H,6-7,14H2,1H3,(H,24,26)/t16-/m1/s1.
What are the key properties of N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide?
N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide has a molecular weight of 351.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(4-fluorophenyl)butan-2-yl]-2-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 51591760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).