3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C21H21ClFN3O — CID 24625692

IUPAC3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NC(c2cccc(F)c2)c2nccn2C)cc1Cl
InChIInChI=1S/C21H21ClFN3O/c1-14-6-7-15(12-18(14)22)8-9-19(27)25-20(21-24-10-11-26(21)2)16-4-3-5-17(23)13-16/h3-7,10-13,20H,8-9H2,1-2H3,(H,25,27)
InChIKeyQBGUZWLLNCEUCQ-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.36
Rot. Bonds6

About 3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide

3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 24625692) has the molecular formula C21H21ClFN3O and a molecular weight of 385.87 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID24625692
Molecular FormulaC21H21ClFN3O
Molecular Weight385.87 g/mol
Exact Mass385.14
IUPAC Name3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NC(c2cccc(F)c2)c2nccn2C)cc1Cl
InChIInChI=1S/C21H21ClFN3O/c1-14-6-7-15(12-18(14)22)8-9-19(27)25-20(21-24-10-11-26(21)2)16-4-3-5-17(23)13-16/h3-7,10-13,20H,8-9H2,1-2H3,(H,25,27)
InChIKeyQBGUZWLLNCEUCQ-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 31504084
2-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17403799
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
2-(4-chlorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40953006
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
4-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide
CID 51334338
2-(3-fluorophenoxy)-N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25351909
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
3-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 43077995
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
N-[(3,4-difluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 16675064
2-chloro-N-[3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 42923150

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 24625692) is 3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is Cc1ccc(CCC(=O)NC(c2cccc(F)c2)c2nccn2C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is QBGUZWLLNCEUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O/c1-14-6-7-15(12-18(14)22)8-9-19(27)25-20(21-24-10-11-26(21)2)16-4-3-5-17(23)13-16/h3-7,10-13,20H,8-9H2,1-2H3,(H,25,27).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 385.87 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 24625692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).