3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea

C15H20Cl2N2O2 — CID 125165219

IUPAC3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea
SMILESCc1c(Cl)ccc(NC(=O)N(C)C[C@@H]2CCCCO2)c1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-10-12(16)6-7-13(14(10)17)18-15(20)19(2)9-11-5-3-4-8-21-11/h6-7,11H,3-5,8-9H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyCXURITGDEZDWFZ-NSHDSACASA-N
MW331.24 g/mol
LogP4.33
Rot. Bonds3

About 3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea

3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea (PubChem CID 125165219) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea.

Molecular Properties

Compound Name3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea
PubChem CID125165219
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea
SMILESCc1c(Cl)ccc(NC(=O)N(C)C[C@@H]2CCCCO2)c1Cl
InChIInChI=1S/C15H20Cl2N2O2/c1-10-12(16)6-7-13(14(10)17)18-15(20)19(2)9-11-5-3-4-8-21-11/h6-7,11H,3-5,8-9H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyCXURITGDEZDWFZ-NSHDSACASA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]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

4-chloro-3-[[methyl-[[(2R)-oxan-2-yl]methyl]carbamoyl]amino]-N-propylbenzamide
CID 97444592
3-(2-chloro-5-methylphenyl)-1-methyl-1-[2-[(2R)-oxan-2-yl]ethyl]urea
CID 97279208
1-methyl-3-(2-methyl-3-pyrrol-1-ylphenyl)-1-[[(2S)-oxan-2-yl]methyl]urea
CID 125174332
N-[4-chloro-3-[[methyl(oxan-2-ylmethyl)carbamoyl]amino]phenyl]-2-methoxyacetamide
CID 118794344
3-(2-bromo-4-methylphenyl)-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 51094112
5-hydroxy-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61435976
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
1-methyl-3-[4-methyl-2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95259007
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61433968
3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
3-amino-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61436031
3-[2-(4-chlorophenyl)ethyl]-1-methyl-1-(oxan-2-ylmethyl)urea
CID 86826801

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea?
The IUPAC name of 3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea (CID 125165219) is 3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea.
What is the SMILES notation for 3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea?
The canonical SMILES for 3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea is Cc1c(Cl)ccc(NC(=O)N(C)C[C@@H]2CCCCO2)c1Cl.
What is the InChIKey of 3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea?
The InChIKey is CXURITGDEZDWFZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10-12(16)6-7-13(14(10)17)18-15(20)19(2)9-11-5-3-4-8-21-11/h6-7,11H,3-5,8-9H2,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea?
3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea has a molecular weight of 331.24 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-3-methylphenyl)-1-methyl-1-[[(2S)-oxan-2-yl]methyl]urea is sourced from PubChem (CID 125165219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).