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

C20H18FN3O3 — CID 52948962

IUPAC1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccn(Cc3cccc(F)c3)c2=O)c1
InChIInChI=1S/C20H18FN3O3/c1-27-17-8-3-7-16(12-17)22-20(26)23-18-9-4-10-24(19(18)25)13-14-5-2-6-15(21)11-14/h2-12H,13H2,1H3,(H2,22,23,26)
InChIKeyVMFUHDOHRAQNQY-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.69
Rot. Bonds5

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

1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea (PubChem CID 52948962) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea
PubChem CID52948962
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccn(Cc3cccc(F)c3)c2=O)c1
InChIInChI=1S/C20H18FN3O3/c1-27-17-8-3-7-16(12-17)22-20(26)23-18-9-4-10-24(19(18)25)13-14-5-2-6-15(21)11-14/h2-12H,13H2,1H3,(H2,22,23,26)
InChIKeyVMFUHDOHRAQNQY-UHFFFAOYSA-N
XLogP3.69
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide
CID 795596
4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23071856
AAE-M-PBP-amine
CID 24763223
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
N,N-Diethyl-2-{3-[3-(3-methoxy-phenyl)-ureido]-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl}-acetamide
CID 10459108
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
1,1-Dibenzyl-3-(2,5-dimethoxyphenyl)urea
CID 311061
1-(M-Anisyl)-3-benzylurea
CID 2822865
3-(M-Anisyl)-1,1-dibenzylurea
CID 3411091
N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-2-oxo-1-imidazolyl]acetamide
CID 9551446
6-Benzyl-3-(3-phenylmethoxyphenyl)-1,4-dihydropyrido[4,3-d]pyrimidine-2,7-dione
CID 137348721
3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 11761412

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea (CID 52948962) is 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cccn(Cc3cccc(F)c3)c2=O)c1.
What is the InChIKey of 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
The InChIKey is VMFUHDOHRAQNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-27-17-8-3-7-16(12-17)22-20(26)23-18-9-4-10-24(19(18)25)13-14-5-2-6-15(21)11-14/h2-12H,13H2,1H3,(H2,22,23,26).
What are the key properties of 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea has a molecular weight of 367.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 52948962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).