1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea

C18H21ClN2O2 — CID 110890330

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCC(O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H21ClN2O2/c1-11-8-12(2)17(13(3)9-11)21-18(23)20-10-16(22)14-4-6-15(19)7-5-14/h4-9,16,22H,10H2,1-3H3,(H2,20,21,23)
InChIKeyPMJOXJMPNMQDSZ-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.12
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 110890330) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID110890330
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCC(O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H21ClN2O2/c1-11-8-12(2)17(13(3)9-11)21-18(23)20-10-16(22)14-4-6-15(19)7-5-14/h4-9,16,22H,10H2,1-3H3,(H2,20,21,23)
InChIKeyPMJOXJMPNMQDSZ-UHFFFAOYSA-N
XLogP4.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea
CID 110924216
2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 66167337
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
CID 110890570
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea
CID 51983472
1-(5-chloro-2-methylphenyl)-3-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 51944865
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-(3,4-dimethylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 51944062
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methyl-1H-indol-5-yl)urea
CID 110896404
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea
CID 110893643
1-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]urea
CID 95975954
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 111434478

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea (CID 110890330) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NCC(O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is PMJOXJMPNMQDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-11-8-12(2)17(13(3)9-11)21-18(23)20-10-16(22)14-4-6-15(19)7-5-14/h4-9,16,22H,10H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 332.83 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 110890330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).