1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea

C20H17ClN2O2 — CID 108867456

IUPAC1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O2/c21-16-11-12-18(24)17(13-16)22-20(25)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,24H,(H2,22,23,25)
InChIKeyHTSYHPCXBBIXCQ-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.96
Rot. Bonds4

About 1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea

1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea (PubChem CID 108867456) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
PubChem CID108867456
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
SMILESO=C(Nc1cc(Cl)ccc1O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17ClN2O2/c21-16-11-12-18(24)17(13-16)22-20(25)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,24H,(H2,22,23,25)
InChIKeyHTSYHPCXBBIXCQ-UHFFFAOYSA-N
XLogP4.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.96
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-benzhydryl-3-(2-chlorophenyl)urea
CID 108867386
1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
CID 45352104
1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886378
1-benzhydryl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871724
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea
CID 174580380
1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
CID 108867612
1-[(1S)-2-cyano-1-phenylethyl]-3-(2,5-dichlorophenyl)urea
CID 96536528
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
CID 108887027
5-(5-chloro-2-hydroxyanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
CID 66759860
(2R)-N-(5-chloro-2-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 40560909
(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea?
The IUPAC name of 1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea (CID 108867456) is 1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea?
The canonical SMILES for 1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea is O=C(Nc1cc(Cl)ccc1O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea?
The InChIKey is HTSYHPCXBBIXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-16-11-12-18(24)17(13-16)22-20(25)23-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19,24H,(H2,22,23,25).
What are the key properties of 1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea?
1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea has a molecular weight of 352.82 g/mol, XLogP of 4.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea is sourced from PubChem (CID 108867456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).