1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea

C21H20FN3O2 — CID 60577099

IUPAC1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C21H20FN3O2/c22-19-10-8-17(9-11-19)14-24-21(27)23-13-16-4-6-18(7-5-16)15-25-12-2-1-3-20(25)26/h1-12H,13-15H2,(H2,23,24,27)
InChIKeyIHOFUVMJLSZRMW-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.04
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea

1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea (PubChem CID 60577099) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
PubChem CID60577099
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCc1ccc(Cn2ccccc2=O)cc1
InChIInChI=1S/C21H20FN3O2/c22-19-10-8-17(9-11-19)14-24-21(27)23-13-16-4-6-18(7-5-16)15-25-12-2-1-3-20(25)26/h1-12H,13-15H2,(H2,23,24,27)
InChIKeyIHOFUVMJLSZRMW-UHFFFAOYSA-N
XLogP3.04
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea with MolForge

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Related Compounds

1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 60572861
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
2-ethyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]butanamide
CID 51092538
4-oxo-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-4-phenylbutanamide
CID 47071053
1-(5-methyl-1,2-oxazol-3-yl)-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 47071678
1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 154841169
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 17439386
5-methyl-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75462984
2,6-dichloro-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 71881348
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 27686969
2-(methoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
CID 51125144
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea (CID 60577099) is 1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea is O=C(NCc1ccc(F)cc1)NCc1ccc(Cn2ccccc2=O)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea?
The InChIKey is IHOFUVMJLSZRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-19-10-8-17(9-11-19)14-24-21(27)23-13-16-4-6-18(7-5-16)15-25-12-2-1-3-20(25)26/h1-12H,13-15H2,(H2,23,24,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea?
1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea has a molecular weight of 365.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea is sourced from PubChem (CID 60577099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).