1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea

C17H19ClN2O2 — CID 51943967

IUPAC1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)NC[C@H](O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O2/c1-11-6-7-12(2)15(8-11)20-17(22)19-10-16(21)13-4-3-5-14(18)9-13/h3-9,16,21H,10H2,1-2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyUUSNHKVDMNCTMU-INIZCTEOSA-N
MW318.80 g/mol
LogP3.81
Rot. Bonds4

About 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea

1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea (PubChem CID 51943967) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
PubChem CID51943967
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
SMILESCc1ccc(C)c(NC(=O)NC[C@H](O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H19ClN2O2/c1-11-6-7-12(2)15(8-11)20-17(22)19-10-16(21)13-4-3-5-14(18)9-13/h3-9,16,21H,10H2,1-2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyUUSNHKVDMNCTMU-INIZCTEOSA-N
XLogP3.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,4-dichlorophenyl)urea
CID 51944288
1-(5-chloro-2-methylphenyl)-3-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 51944865
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 111452505
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 38282989
1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 42960513
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea
CID 51983472
N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 95775664
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-cyanophenyl)urea
CID 38282945
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94172228

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea?
The IUPAC name of 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea (CID 51943967) is 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea?
The canonical SMILES for 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea is Cc1ccc(C)c(NC(=O)NC[C@H](O)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea?
The InChIKey is UUSNHKVDMNCTMU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-6-7-12(2)15(8-11)20-17(22)19-10-16(21)13-4-3-5-14(18)9-13/h3-9,16,21H,10H2,1-2H3,(H2,19,20,22)/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea?
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea has a molecular weight of 318.80 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea is sourced from PubChem (CID 51943967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).