3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide

C22H23FN4O — CID 166615596

IUPAC3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)C1(Cc2ccccc2F)CNC1)c1ccccc1
InChIInChI=1S/C22H23FN4O/c1-27-12-11-25-20(27)19(16-7-3-2-4-8-16)26-21(28)22(14-24-15-22)13-17-9-5-6-10-18(17)23/h2-12,19,24H,13-15H2,1H3,(H,26,28)
InChIKeyJZVTWQZLLHUVDN-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.60
Rot. Bonds6

About 3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide

3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide (PubChem CID 166615596) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide
PubChem CID166615596
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide
SMILESCn1ccnc1C(NC(=O)C1(Cc2ccccc2F)CNC1)c1ccccc1
InChIInChI=1S/C22H23FN4O/c1-27-12-11-25-20(27)19(16-7-3-2-4-8-16)26-21(28)22(14-24-15-22)13-17-9-5-6-10-18(17)23/h2-12,19,24H,13-15H2,1H3,(H,26,28)
InChIKeyJZVTWQZLLHUVDN-UHFFFAOYSA-N
XLogP2.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25367645
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CID 61253020
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 99940755
N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 42883960
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 25474515
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 38202343
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 42954354

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide (CID 166615596) is 3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide is Cn1ccnc1C(NC(=O)C1(Cc2ccccc2F)CNC1)c1ccccc1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide?
The InChIKey is JZVTWQZLLHUVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-27-12-11-25-20(27)19(16-7-3-2-4-8-16)26-21(28)22(14-24-15-22)13-17-9-5-6-10-18(17)23/h2-12,19,24H,13-15H2,1H3,(H,26,28).
What are the key properties of 3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide?
3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]azetidine-3-carboxamide is sourced from PubChem (CID 166615596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).