1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea

C13H19ClN2O2 — CID 111487017

IUPAC1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-10(6-7-17)8-15-13(18)16-9-11-2-4-12(14)5-3-11/h2-5,10,17H,6-9H2,1H3,(H2,15,16,18)
InChIKeyDYXROBGSZVRCAT-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.16
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea

1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea (PubChem CID 111487017) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
PubChem CID111487017
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
SMILESCC(CCO)CNC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-10(6-7-17)8-15-13(18)16-9-11-2-4-12(14)5-3-11/h2-5,10,17H,6-9H2,1H3,(H2,15,16,18)
InChIKeyDYXROBGSZVRCAT-UHFFFAOYSA-N
XLogP2.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66108567
1-(4-hydroxy-2-methylbutyl)-3-(thiophen-3-ylmethyl)urea
CID 111504571
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111504775
1-[(4-ethoxy-3-methylphenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111506228
1-[2-(3-bromo-4-fluorophenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505097
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
1-[(4-chlorophenyl)methyl]-3-(2,2-diethyl-4-hydroxybutyl)urea
CID 111499071
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
1-(4-ethylphenyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111473009
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505907
1-[1-(2,4-dichlorophenyl)propan-2-yl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505680

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea (CID 111487017) is 1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea is CC(CCO)CNC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea?
The InChIKey is DYXROBGSZVRCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-10(6-7-17)8-15-13(18)16-9-11-2-4-12(14)5-3-11/h2-5,10,17H,6-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea?
1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea has a molecular weight of 270.76 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(4-hydroxy-2-methylbutyl)urea is sourced from PubChem (CID 111487017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).