1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea

C18H21ClN2O4 — CID 51940999

IUPAC1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
SMILESCOc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O4/c1-11-4-5-12(8-15(11)19)21-18(23)20-10-16(22)14-9-13(24-2)6-7-17(14)25-3/h4-9,16,22H,10H2,1-3H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyWONFBMSPKPQTPD-INIZCTEOSA-N
MW364.83 g/mol
LogP3.52
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea

1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea (PubChem CID 51940999) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
PubChem CID51940999
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
SMILESCOc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O4/c1-11-4-5-12(8-15(11)19)21-18(23)20-10-16(22)14-9-13(24-2)6-7-17(14)25-3/h4-9,16,22H,10H2,1-3H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyWONFBMSPKPQTPD-INIZCTEOSA-N
XLogP3.52
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 55696560
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364
4-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]carbamoylamino]-N,3-dimethylbenzamide
CID 55740597
methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878988
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 95129214
1-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 55697872
1-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-pyridin-2-ylurea
CID 95129792
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]oxamide
CID 96530973
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea
CID 63733150
1-(3,5-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944301

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea (CID 51940999) is 1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea is COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea?
The InChIKey is WONFBMSPKPQTPD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-11-4-5-12(8-15(11)19)21-18(23)20-10-16(22)14-9-13(24-2)6-7-17(14)25-3/h4-9,16,22H,10H2,1-3H3,(H2,20,21,23)/t16-/m0/s1.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea?
1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea has a molecular weight of 364.83 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[(2R)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 51940999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).