1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea

C16H17ClN2O2 — CID 110923275

IUPAC1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c17-14-7-5-12(6-8-14)15-4-2-1-3-13(15)11-19-16(21)18-9-10-20/h1-8,20H,9-11H2,(H2,18,19,21)
InChIKeyKHVYKASMSBNMTN-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.80
Rot. Bonds5

About 1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea

1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea (PubChem CID 110923275) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
PubChem CID110923275
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea
SMILESO=C(NCCO)NCc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c17-14-7-5-12(6-8-14)15-4-2-1-3-13(15)11-19-16(21)18-9-10-20/h1-8,20H,9-11H2,(H2,18,19,21)
InChIKeyKHVYKASMSBNMTN-UHFFFAOYSA-N
XLogP2.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-chlorophenyl)phenyl]methyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110923423
N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
4-amino-N-[[2-(4-chlorophenyl)phenyl]methyl]pentanamide
CID 120562027
N-[[2-(4-chlorophenyl)phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119768238
1-[2-(2-chlorophenyl)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 60595877
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119768236
4-[[[2-(4-chlorophenyl)phenyl]methylamino]methyl]-N,N-dimethylbenzamide
CID 146147204
1-[(4-bromo-2-chlorophenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110908184
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 112970906
1-(2-hydroxyethyl)-3-[[2-(phenylmethoxymethyl)phenyl]methyl]urea
CID 110894223

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea (CID 110923275) is 1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea is O=C(NCCO)NCc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea?
The InChIKey is KHVYKASMSBNMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-14-7-5-12(6-8-14)15-4-2-1-3-13(15)11-19-16(21)18-9-10-20/h1-8,20H,9-11H2,(H2,18,19,21).
What are the key properties of 1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea?
1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea has a molecular weight of 304.78 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chlorophenyl)phenyl]methyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 110923275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).