1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea

C20H17ClFN3O3 — CID 52946459

IUPAC1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccn(Cc3cc(F)ccc3Cl)c2=O)c1
InChIInChI=1S/C20H17ClFN3O3/c1-28-16-5-2-4-15(11-16)23-20(27)24-18-6-3-9-25(19(18)26)12-13-10-14(22)7-8-17(13)21/h2-11H,12H2,1H3,(H2,23,24,27)
InChIKeyMZFHOQAUYKWFMK-UHFFFAOYSA-N
MW401.83 g/mol
LogP4.34
Rot. Bonds5

About 1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea

1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea (PubChem CID 52946459) has the molecular formula C20H17ClFN3O3 and a molecular weight of 401.83 g/mol. Its IUPAC name is 1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea
PubChem CID52946459
Molecular FormulaC20H17ClFN3O3
Molecular Weight401.83 g/mol
Exact Mass401.09
IUPAC Name1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccn(Cc3cc(F)ccc3Cl)c2=O)c1
InChIInChI=1S/C20H17ClFN3O3/c1-28-16-5-2-4-15(11-16)23-20(27)24-18-6-3-9-25(19(18)26)12-13-10-14(22)7-8-17(13)21/h2-11H,12H2,1H3,(H2,23,24,27)
InChIKeyMZFHOQAUYKWFMK-UHFFFAOYSA-N
XLogP4.34
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea with MolForge

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-methoxybenzamide
CID 52949168
1-(3-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 52947148
1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(4-methylphenyl)urea
CID 52947935
1-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]-3-(3-methoxyphenyl)urea
CID 30859558
1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 1478530
1-(2-amino-5-fluorophenyl)-3-(3-methoxyphenyl)urea
CID 63256964
1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 103480109
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766
1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea
CID 1450122
(3S)-3-[[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]carbamoylamino]-3-(3,4,5-trimethoxyphenyl)propanoic acid
CID 66768115
2-[3-(aminomethyl)-2-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 107017585
1-[(2-chlorophenyl)methyl]-N-(2,4-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598500

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea (CID 52946459) is 1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cccn(Cc3cc(F)ccc3Cl)c2=O)c1.
What is the InChIKey of 1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
The InChIKey is MZFHOQAUYKWFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O3/c1-28-16-5-2-4-15(11-16)23-20(27)24-18-6-3-9-25(19(18)26)12-13-10-14(22)7-8-17(13)21/h2-11H,12H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea?
1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea has a molecular weight of 401.83 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 52946459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).