1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea

C17H19ClN2O3 — CID 110924216

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCC(O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2O3/c1-11-9-14(23-2)7-8-15(11)20-17(22)19-10-16(21)12-3-5-13(18)6-4-12/h3-9,16,21H,10H2,1-2H3,(H2,19,20,22)
InChIKeyUGVUUHYJHYUURQ-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.51
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea (PubChem CID 110924216) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea
PubChem CID110924216
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea
SMILESCOc1ccc(NC(=O)NCC(O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C17H19ClN2O3/c1-11-9-14(23-2)7-8-15(11)20-17(22)19-10-16(21)12-3-5-13(18)6-4-12/h3-9,16,21H,10H2,1-2H3,(H2,19,20,22)
InChIKeyUGVUUHYJHYUURQ-UHFFFAOYSA-N
XLogP3.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3,3-dimethylbutyl)-3-(4-methoxy-2-methylphenyl)urea
CID 111431598
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea
CID 110890330
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea
CID 51983472
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
CID 110890570
1-(5-chloro-2-methylphenyl)-3-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 51944865
1-(3-hydroxypropyl)-3-(4-methoxy-2-methylphenyl)urea
CID 110933093
4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide
CID 55740597
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
1-(4-methoxy-2-methylphenyl)-3-propan-2-ylurea
CID 115606016
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110891386

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea (CID 110924216) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea is COc1ccc(NC(=O)NCC(O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea?
The InChIKey is UGVUUHYJHYUURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-11-9-14(23-2)7-8-15(11)20-17(22)19-10-16(21)12-3-5-13(18)6-4-12/h3-9,16,21H,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea has a molecular weight of 334.80 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea is sourced from PubChem (CID 110924216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).