3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide

C21H21F2N3O — CID 55925130

IUPAC3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
SMILESCC(CC(=O)NC(c1ccc(F)cc1)c1nccn1C)c1ccc(F)cc1
InChIInChI=1S/C21H21F2N3O/c1-14(15-3-7-17(22)8-4-15)13-19(27)25-20(21-24-11-12-26(21)2)16-5-9-18(23)10-6-16/h3-12,14,20H,13H2,1-2H3,(H,25,27)
InChIKeyRIQCPBPCXAOCOI-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.10
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide

3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide (PubChem CID 55925130) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
PubChem CID55925130
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
SMILESCC(CC(=O)NC(c1ccc(F)cc1)c1nccn1C)c1ccc(F)cc1
InChIInChI=1S/C21H21F2N3O/c1-14(15-3-7-17(22)8-4-15)13-19(27)25-20(21-24-11-12-26(21)2)16-5-9-18(23)10-6-16/h3-12,14,20H,13H2,1-2H3,(H,25,27)
InChIKeyRIQCPBPCXAOCOI-UHFFFAOYSA-N
XLogP4.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methoxypropanamide
CID 110429258
2-(3,4-dichlorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25358319
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
2-(3-fluorophenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 40952505
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
2-(4-tert-butylphenyl)sulfanyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55500150
2-(2,6-dimethylphenoxy)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51260009
2-(4-cyanoanilino)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 134036404
N-[2-[[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 25369027
2-(4-cyanophenoxy)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 41023714
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42930573

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide (CID 55925130) is 3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide is CC(CC(=O)NC(c1ccc(F)cc1)c1nccn1C)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide?
The InChIKey is RIQCPBPCXAOCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-14(15-3-7-17(22)8-4-15)13-19(27)25-20(21-24-11-12-26(21)2)16-5-9-18(23)10-6-16/h3-12,14,20H,13H2,1-2H3,(H,25,27).
What are the key properties of 3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide?
3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide has a molecular weight of 369.42 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide is sourced from PubChem (CID 55925130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).