1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea

C18H21ClN2O4 — CID 108877934

IUPAC1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCOc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C18H21ClN2O4/c1-11-7-14(8-12(2)17(11)19)25-10-20-18(22)21-15-9-13(23-3)5-6-16(15)24-4/h5-9H,10H2,1-4H3,(H2,20,21,22)
InChIKeyVRWFOGXFLVOSBZ-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.13
Rot. Bonds6

About 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea (PubChem CID 108877934) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea
PubChem CID108877934
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCOc2cc(C)c(Cl)c(C)c2)c1
InChIInChI=1S/C18H21ClN2O4/c1-11-7-14(8-12(2)17(11)19)25-10-20-18(22)21-15-9-13(23-3)5-6-16(15)24-4/h5-9H,10H2,1-4H3,(H2,20,21,22)
InChIKeyVRWFOGXFLVOSBZ-UHFFFAOYSA-N
XLogP4.13
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]benzoate
CID 108877937
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,6-diethylphenyl)urea
CID 108877931
1-(2-amino-4-methylphenyl)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]urea
CID 108878155
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108877926
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2-cyanophenyl)urea
CID 108877870
1-(2-butan-2-ylphenyl)-3-[(4-chloro-3,5-dimethylphenoxy)methyl]urea
CID 108878147
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312
4-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]benzamide
CID 108878087
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea
CID 112976734
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108878981
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(3-chloro-4-fluorophenyl)urea
CID 108878088

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea (CID 108877934) is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)NCOc2cc(C)c(Cl)c(C)c2)c1.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is VRWFOGXFLVOSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-11-7-14(8-12(2)17(11)19)25-10-20-18(22)21-15-9-13(23-3)5-6-16(15)24-4/h5-9H,10H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea?
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 364.83 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 108877934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).