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

C20H20FN3O — CID 45228340

IUPAC3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCn1ccnc1CNC(=O)CC(c1ccccc1)c1ccccc1F
InChIInChI=1S/C20H20FN3O/c1-24-12-11-22-19(24)14-23-20(25)13-17(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21/h2-12,17H,13-14H2,1H3,(H,23,25)
InChIKeyRFWKEBSGRNYRKY-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.40
Rot. Bonds6

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

3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide (PubChem CID 45228340) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
PubChem CID45228340
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
SMILESCn1ccnc1CNC(=O)CC(c1ccccc1)c1ccccc1F
InChIInChI=1S/C20H20FN3O/c1-24-12-11-22-19(24)14-23-20(25)13-17(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21/h2-12,17H,13-14H2,1H3,(H,23,25)
InChIKeyRFWKEBSGRNYRKY-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 42596150
3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 45177870
(3R)-N-[(1-ethylpyrazol-4-yl)methyl]-3-(2-fluorophenyl)-3-phenylpropanamide
CID 26411426
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
(3R)-3-(2-fluorophenyl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-phenylpropanamide
CID 136831938
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
N-(2,6-difluorophenyl)-2-[(1-methylimidazol-2-yl)methylamino]acetamide
CID 63295828

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide (CID 45228340) is 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide is Cn1ccnc1CNC(=O)CC(c1ccccc1)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is RFWKEBSGRNYRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-24-12-11-22-19(24)14-23-20(25)13-17(15-7-3-2-4-8-15)16-9-5-6-10-18(16)21/h2-12,17H,13-14H2,1H3,(H,23,25).
What are the key properties of 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide?
3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 337.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 45228340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).