1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea

C19H14Cl2N2O2 — CID 21184737

IUPAC1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C19H14Cl2N2O2/c20-15-10-11-16(18(24)17(15)21)23-19(25)22-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,24H,(H2,22,23,25)
InChIKeySXDDKYMVNSTNIY-UHFFFAOYSA-N
MW373.24 g/mol
LogP6.01
Rot. Bonds3

About 1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea

1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea (PubChem CID 21184737) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is 1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea
PubChem CID21184737
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1O
InChIInChI=1S/C19H14Cl2N2O2/c20-15-10-11-16(18(24)17(15)21)23-19(25)22-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,24H,(H2,22,23,25)
InChIKeySXDDKYMVNSTNIY-UHFFFAOYSA-N
XLogP6.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.24
LogP ≤ 56.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichloro-2-hydroxyphenyl)-3-(2,3-dichlorophenyl)urea;urea
CID 159737263
1-(4-phenylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108867200
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
N-(4-phenylphenyl)acetamide
CID 19998
1-phenyl-3-(2,3,5,6-tetrachloro-4-hydroxyphenyl)urea
CID 166984072
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
1-[4-(2-chloroanilino)phenyl]-3-phenylurea
CID 112986938
2-[[4-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]benzoyl]amino]-2-methylpropanoic acid
CID 59150959
1-(2-hydroxy-3-phenylphenyl)-3-(4-methoxyphenyl)urea
CID 21184692
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(2-ethoxyphenyl)-3-(4-phenylphenyl)urea
CID 108867158
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea?
The IUPAC name of 1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea (CID 21184737) is 1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea is O=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1O.
What is the InChIKey of 1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea?
The InChIKey is SXDDKYMVNSTNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c20-15-10-11-16(18(24)17(15)21)23-19(25)22-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11,24H,(H2,22,23,25).
What are the key properties of 1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea?
1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea has a molecular weight of 373.24 g/mol, XLogP of 6.01, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichloro-2-hydroxyphenyl)-3-(4-phenylphenyl)urea is sourced from PubChem (CID 21184737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).