1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea

C19H16ClN3O2 — CID 135376412

IUPAC1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
SMILESCOc1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C19H16ClN3O2/c1-25-18-7-3-6-17(23-18)13-4-2-5-16(12-13)22-19(24)21-15-10-8-14(20)9-11-15/h2-12H,1H3,(H2,21,22,24)
InChIKeyVLCDNPCLMBNFQY-UHFFFAOYSA-N
MW353.81 g/mol
LogP5.05
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea (PubChem CID 135376412) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
PubChem CID135376412
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea
SMILESCOc1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C19H16ClN3O2/c1-25-18-7-3-6-17(23-18)13-4-2-5-16(12-13)22-19(24)21-15-10-8-14(20)9-11-15/h2-12H,1H3,(H2,21,22,24)
InChIKeyVLCDNPCLMBNFQY-UHFFFAOYSA-N
XLogP5.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.81
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[3-[6-(dipropylamino)-2-pyridinyl]phenyl]urea
CID 118716100
1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
CID 135376465
1-(4-chlorophenyl)-3-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 135376255
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
1-(4-chlorophenyl)-3-[3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 46377439
1-(4-methoxyphenyl)-3-(3-quinoxalin-2-ylphenyl)urea
CID 1485415
1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 46380914
1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991246
1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243079
2-(4-chlorophenoxy)-N-[3-[6-(2,5-dimethoxyphenyl)-2-pyridinyl]phenyl]acetamide
CID 46087670
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
CID 123176042
CID 123176042

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea (CID 135376412) is 1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea is COc1cccc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea?
The InChIKey is VLCDNPCLMBNFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-25-18-7-3-6-17(23-18)13-4-2-5-16(12-13)22-19(24)21-15-10-8-14(20)9-11-15/h2-12H,1H3,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea has a molecular weight of 353.81 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(6-methoxy-2-pyridinyl)phenyl]urea is sourced from PubChem (CID 135376412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).