3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea

C10H13ClN2O2 — CID 29863

IUPAC3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea
SMILESCOc1ccc(NC(=O)N(C)C)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)
InChIKeyDSRNRYQBBJQVCW-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.44
Rot. Bonds2

About 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea

3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea (PubChem CID 29863) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea
PubChem CID29863
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea
SMILESCOc1ccc(NC(=O)N(C)C)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)
InChIKeyDSRNRYQBBJQVCW-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chloroxuron
CID 16115
1-(3,4-Dichloro-phenyl)-3-(4-methoxy-phenyl)-urea
CID 853588
Acetamide, N-(3-chloro-4-methoxyphenyl)-
CID 23474
Carbamic acid, (3-chloro-4-methoxyphenyl)-, 1-methylethyl ester
CID 94705
[3-Chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]urea
CID 139595717
N-(3-chloro-4-methoxyphenyl)-N'-(3-pyrrolidin-1-ylpropyl)thiourea
CID 16193058
3-(4-Methoxyphenyl)-1,1-dimethylurea
CID 23550
1-(P-Anisyl)-3-methylurea
CID 295283
1-(4-Chlorophenyl)-3-(4-methoxyphenyl)urea
CID 295294
1,1-Dibutyl-3-(4-methoxyphenyl)urea
CID 3559325
N-(3-chloro-4-ethoxyphenyl)acetamide
CID 13799749
1-allyl-N-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486111

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea (CID 29863) is 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea is COc1ccc(NC(=O)N(C)C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea?
The InChIKey is DSRNRYQBBJQVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea?
3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea has a molecular weight of 228.68 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-1,1-dimethylurea is sourced from PubChem (CID 29863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).