1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea

C12H17ClN2O2 — CID 115169247

IUPAC1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1cc(Cl)cc(C)c1OC
InChIInChI=1S/C12H17ClN2O2/c1-8-5-10(13)6-9(11(8)17-4)7-15(3)12(16)14-2/h5-6H,7H2,1-4H3,(H,14,16)
InChIKeyABKLZJNWZWSQGT-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.43
Rot. Bonds3

About 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea

1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea (PubChem CID 115169247) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea
PubChem CID115169247
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)Cc1cc(Cl)cc(C)c1OC
InChIInChI=1S/C12H17ClN2O2/c1-8-5-10(13)6-9(11(8)17-4)7-15(3)12(16)14-2/h5-6H,7H2,1-4H3,(H,14,16)
InChIKeyABKLZJNWZWSQGT-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193766
(5-chloro-2-methoxy-3-methylphenyl)methyl-methylcarbamothioic S-acid
CID 115170136
2-amino-N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-N-methylacetamide
CID 115151633
1-(5-chloro-2-methoxy-3-methylphenyl)-N-(chloromethyl)-N-methylmethanamine
CID 115263199
methyl N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]carbamate
CID 110789555
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769441
N-[(5-chloro-2-methoxy-3-methylphenyl)methyl]propanamide
CID 110782924
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
CID 115169536
1-[2-(5-chloro-2-methoxy-3-methylphenyl)ethylamino]propan-2-one
CID 115235019

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea?
The IUPAC name of 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea (CID 115169247) is 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea?
The canonical SMILES for 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea is CNC(=O)N(C)Cc1cc(Cl)cc(C)c1OC.
What is the InChIKey of 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea?
The InChIKey is ABKLZJNWZWSQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8-5-10(13)6-9(11(8)17-4)7-15(3)12(16)14-2/h5-6H,7H2,1-4H3,(H,14,16).
What are the key properties of 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea?
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea has a molecular weight of 256.73 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea is sourced from PubChem (CID 115169247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).