1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea

C17H19ClN2O2 — CID 97417892

IUPAC1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea
SMILESCO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccccc1C
InChIInChI=1S/C17H19ClN2O2/c1-12-7-3-4-8-13(12)16(22-2)11-19-17(21)20-15-10-6-5-9-14(15)18/h3-10,16H,11H2,1-2H3,(H2,19,20,21)/t16-/m0/s1
InChIKeyCYYXSDPTWCZOLP-INIZCTEOSA-N
MW318.80 g/mol
LogP4.16
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea

1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea (PubChem CID 97417892) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea
PubChem CID97417892
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea
SMILESCO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccccc1C
InChIInChI=1S/C17H19ClN2O2/c1-12-7-3-4-8-13(12)16(22-2)11-19-17(21)20-15-10-6-5-9-14(15)18/h3-10,16H,11H2,1-2H3,(H2,19,20,21)/t16-/m0/s1
InChIKeyCYYXSDPTWCZOLP-INIZCTEOSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71810588
N'-(3-chloro-2-methylphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598984
1-(2-chlorophenyl)-3-[(2S)-2-(furan-2-yl)-2-methoxyethyl]urea
CID 99876562
1-(2-chlorophenyl)-3-[(2S)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97417096
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 90623949
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417893
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
2,4-dichloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598769
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-2-methoxy-2-(2-methoxyphenyl)ethyl]urea
CID 129373912
3-[(2-chlorophenyl)carbamoylamino]-2-methylpropanoic acid
CID 62674288

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea (CID 97417892) is 1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea is CO[C@@H](CNC(=O)Nc1ccccc1Cl)c1ccccc1C.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea?
The InChIKey is CYYXSDPTWCZOLP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-12-7-3-4-8-13(12)16(22-2)11-19-17(21)20-15-10-6-5-9-14(15)18/h3-10,16H,11H2,1-2H3,(H2,19,20,21)/t16-/m0/s1.
What are the key properties of 1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea?
1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea has a molecular weight of 318.80 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 97417892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).