1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea

C18H21ClN2O2 — CID 99876262

IUPAC1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea
SMILESCO[C@@H](CNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-12-8-9-14(10-13(12)2)21-18(22)20-11-17(23-3)15-6-4-5-7-16(15)19/h4-10,17H,11H2,1-3H3,(H2,20,21,22)/t17-/m0/s1
InChIKeyMOPBRYWKHUABQN-KRWDZBQOSA-N
MW332.83 g/mol
LogP4.47
Rot. Bonds5

About 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea

1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea (PubChem CID 99876262) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea
PubChem CID99876262
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea
SMILESCO[C@@H](CNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-12-8-9-14(10-13(12)2)21-18(22)20-11-17(23-3)15-6-4-5-7-16(15)19/h4-10,17H,11H2,1-3H3,(H2,20,21,22)/t17-/m0/s1
InChIKeyMOPBRYWKHUABQN-KRWDZBQOSA-N
XLogP4.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea (CID 99876262) is 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea is CO[C@@H](CNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1Cl.
What is the InChIKey of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is MOPBRYWKHUABQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12-8-9-14(10-13(12)2)21-18(22)20-11-17(23-3)15-6-4-5-7-16(15)19/h4-10,17H,11H2,1-3H3,(H2,20,21,22)/t17-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea?
1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 332.83 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 99876262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).