1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea

C18H15ClN4O — CID 162652713

IUPAC1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2ccccn2)c1
InChIInChI=1S/C18H15ClN4O/c19-13-7-9-14(10-8-13)22-18(24)23-16-5-3-4-15(12-16)21-17-6-1-2-11-20-17/h1-12H,(H,20,21)(H2,22,23,24)
InChIKeyLZLDOWVZZAVABQ-UHFFFAOYSA-N
MW338.80 g/mol
LogP5.12
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea

1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea (PubChem CID 162652713) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea
PubChem CID162652713
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2ccccn2)c1
InChIInChI=1S/C18H15ClN4O/c19-13-7-9-14(10-8-13)22-18(24)23-16-5-3-4-15(12-16)21-17-6-1-2-11-20-17/h1-12H,(H,20,21)(H2,22,23,24)
InChIKeyLZLDOWVZZAVABQ-UHFFFAOYSA-N
XLogP5.12
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.80
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122317050
N-(4-chlorophenyl)pyridin-2-amine
CID 139075249
1-(3,4-difluorophenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122315905
1-[4-(4-chloroanilino)phenyl]-3-phenylurea
CID 112987034
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
N-(3-chloro-4-fluorophenyl)pyridin-2-amine
CID 28829534
2-(4-chlorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315807
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
CID 123176042
CID 123176042
1-(4-tert-butylphenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122316135

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea (CID 162652713) is 1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2ccccn2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea?
The InChIKey is LZLDOWVZZAVABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-13-7-9-14(10-8-13)22-18(24)23-16-5-3-4-15(12-16)21-17-6-1-2-11-20-17/h1-12H,(H,20,21)(H2,22,23,24).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea has a molecular weight of 338.80 g/mol, XLogP of 5.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(pyridin-2-ylamino)phenyl]urea is sourced from PubChem (CID 162652713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).