1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea

C14H13ClN2O2 — CID 110473513

IUPAC1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(O)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c15-11-2-1-3-12(8-11)17-14(19)16-9-10-4-6-13(18)7-5-10/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyUTAIWMXXDMYIBI-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.37
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea

1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea (PubChem CID 110473513) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea
PubChem CID110473513
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea
SMILESO=C(NCc1ccc(O)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c15-11-2-1-3-12(8-11)17-14(19)16-9-10-4-6-13(18)7-5-10/h1-8,18H,9H2,(H2,16,17,19)
InChIKeyUTAIWMXXDMYIBI-UHFFFAOYSA-N
XLogP3.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea (CID 110473513) is 1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea is O=C(NCc1ccc(O)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea?
The InChIKey is UTAIWMXXDMYIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-2-1-3-12(8-11)17-14(19)16-9-10-4-6-13(18)7-5-10/h1-8,18H,9H2,(H2,16,17,19).
What are the key properties of 1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea?
1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea has a molecular weight of 276.72 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(4-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 110473513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).