1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea

C17H19ClN2O3 — CID 108869537

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1
InChIInChI=1S/C17H19ClN2O3/c1-10-5-11(2)16(15(18)6-10)20-17(21)19-12-7-13(22-3)9-14(8-12)23-4/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyLDHZIKIUGYCGIR-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.62
Rot. Bonds4

About 1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea

1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea (PubChem CID 108869537) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea
PubChem CID108869537
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1
InChIInChI=1S/C17H19ClN2O3/c1-10-5-11(2)16(15(18)6-10)20-17(21)19-12-7-13(22-3)9-14(8-12)23-4/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyLDHZIKIUGYCGIR-UHFFFAOYSA-N
XLogP4.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
CID 108888004
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-4,6-dimethylphenyl)urea
CID 108991921
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
1-(2-chloro-4,6-dimethylphenyl)-3-(3-hydroxyphenyl)urea
CID 108895874
1-(2-chloro-4,6-dimethylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898402
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198306
N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 53265828
2-chloro-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 885585
1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869425
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide
CID 108511990

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea (CID 108869537) is 1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)Nc2c(C)cc(C)cc2Cl)cc(OC)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is LDHZIKIUGYCGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-10-5-11(2)16(15(18)6-10)20-17(21)19-12-7-13(22-3)9-14(8-12)23-4/h5-9H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea?
1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea has a molecular weight of 334.80 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-dimethylphenyl)-3-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 108869537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).