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

C18H21ClN2O2 — CID 90040437

IUPAC1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea
SMILESCC(C)(NC(=O)Nc1ccc(Cl)cc1)c1cccc(CCO)c1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,14-5-3-4-13(12-14)10-11-22)21-17(23)20-16-8-6-15(19)7-9-16/h3-9,12,22H,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyBUYKYJNOTRDVAW-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.93
Rot. Bonds5

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

1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea (PubChem CID 90040437) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea
PubChem CID90040437
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea
SMILESCC(C)(NC(=O)Nc1ccc(Cl)cc1)c1cccc(CCO)c1
InChIInChI=1S/C18H21ClN2O2/c1-18(2,14-5-3-4-13(12-14)10-11-22)21-17(23)20-16-8-6-15(19)7-9-16/h3-9,12,22H,10-11H2,1-2H3,(H2,20,21,23)
InChIKeyBUYKYJNOTRDVAW-UHFFFAOYSA-N
XLogP3.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[2-(3-chlorophenyl)propan-2-yl]urea
CID 110446838
N-[4-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216358
1-(4-chlorophenyl)-3-(1-hydroxy-2-phenylpropan-2-yl)urea
CID 115621952
N-[3-[2-(4-chlorophenyl)propan-2-ylcarbamoylamino]phenyl]acetamide
CID 113216357
1-(3-chlorophenyl)-3-[4-(2-hydroxyethyl)phenyl]urea
CID 61221273
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-[4-[(2S)-butan-2-yl]phenyl]-3-[2-[3-[2-[[4-[(2R)-butan-2-yl]phenyl]carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 27235829
1-[2-(3-ethylphenyl)propan-2-yl]-3-methylurea
CID 129101422
1-(3,4-dichlorophenyl)-3-[2-(3-phenylphenyl)propan-2-yl]urea
CID 70850941
1-[2-(4-chlorophenyl)propan-2-yl]-3-(4-propan-2-yloxyphenyl)urea
CID 113216348
1-(4-tert-butylphenyl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 71462576
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea (CID 90040437) is 1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea is CC(C)(NC(=O)Nc1ccc(Cl)cc1)c1cccc(CCO)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea?
The InChIKey is BUYKYJNOTRDVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(2,14-5-3-4-13(12-14)10-11-22)21-17(23)20-16-8-6-15(19)7-9-16/h3-9,12,22H,10-11H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea?
1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea has a molecular weight of 332.83 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[3-(2-hydroxyethyl)phenyl]propan-2-yl]urea is sourced from PubChem (CID 90040437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).