1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea

C10H13ClN2O2 — CID 115168887

IUPAC1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cc(Cl)c(OC)cc1C
InChIInChI=1S/C10H13ClN2O2/c1-6-4-9(15-3)7(11)5-8(6)13-10(14)12-2/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyNNVGFEMNSZOXKR-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.41
Rot. Bonds2

About 1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea

1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea (PubChem CID 115168887) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
PubChem CID115168887
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cc(Cl)c(OC)cc1C
InChIInChI=1S/C10H13ClN2O2/c1-6-4-9(15-3)7(11)5-8(6)13-10(14)12-2/h4-5H,1-3H3,(H2,12,13,14)
InChIKeyNNVGFEMNSZOXKR-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-3-methylurea
CID 115168877
N-(5-chloro-4-methoxy-2-methylphenyl)-2-hydroxypropanamide
CID 115140378
2-(5-chloro-4-methoxy-2-methylanilino)-2-oxoacetic acid
CID 82497514
1-(5-fluoro-4-methoxy-2-methylphenyl)-3-methylurea
CID 126789448
1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide
CID 115189599
tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate
CID 69097022
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
CID 82497353
N-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamothioylamino]-2-methoxy-5-methylphenyl]acetamide
CID 15954879
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860261
1-(2,3-dichloro-4-methoxyphenyl)-3-methylurea
CID 115168935
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea?
The IUPAC name of 1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea (CID 115168887) is 1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea.
What is the SMILES notation for 1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea?
The canonical SMILES for 1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea is CNC(=O)Nc1cc(Cl)c(OC)cc1C.
What is the InChIKey of 1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea?
The InChIKey is NNVGFEMNSZOXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6-4-9(15-3)7(11)5-8(6)13-10(14)12-2/h4-5H,1-3H3,(H2,12,13,14).
What are the key properties of 1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea?
1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea has a molecular weight of 228.68 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea is sourced from PubChem (CID 115168887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).