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

C17H19ClN2O4 — CID 51944524

IUPAC1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)cc(OC)c1
InChIInChI=1S/C17H19ClN2O4/c1-23-14-7-13(8-15(9-14)24-2)20-17(22)19-10-16(21)11-4-3-5-12(18)6-11/h3-9,16,21H,10H2,1-2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyYKFJOKADSIYHRX-INIZCTEOSA-N
MW350.80 g/mol
LogP3.21
Rot. Bonds6

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

1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea (PubChem CID 51944524) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
PubChem CID51944524
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)cc(OC)c1
InChIInChI=1S/C17H19ClN2O4/c1-23-14-7-13(8-15(9-14)24-2)20-17(22)19-10-16(21)11-4-3-5-12(18)6-11/h3-9,16,21H,10H2,1-2H3,(H2,19,20,22)/t16-/m0/s1
InChIKeyYKFJOKADSIYHRX-INIZCTEOSA-N
XLogP3.21
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 42960513
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea
CID 51944880
1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
1-(3,5-dimethoxyphenyl)-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798422
1-(3,5-dimethoxyphenyl)-3-[(2R)-2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]urea
CID 97106081
1-(3-chloro-4-cyanophenyl)-3-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51945011
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-cyanophenyl)urea
CID 38282945
1-(3,5-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(2-methoxyphenyl)ethyl]urea
CID 51944301
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea (CID 51944524) is 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)cc(OC)c1.
What is the InChIKey of 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is YKFJOKADSIYHRX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-23-14-7-13(8-15(9-14)24-2)20-17(22)19-10-16(21)11-4-3-5-12(18)6-11/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-(3,5-dimethoxyphenyl)urea?
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea has a molecular weight of 350.80 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 51944524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).