1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea

C18H20ClN3O3 — CID 5180373

IUPAC1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCCOc1cc(Cl)c(C=NNC(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C18H20ClN3O3/c1-4-25-17-10-14(19)13(9-16(17)24-3)11-20-22-18(23)21-15-8-6-5-7-12(15)2/h5-11H,4H2,1-3H3,(H2,21,22,23)
InChIKeyYGTXUBOMYSMFRK-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.21
Rot. Bonds6

About 1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea

1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea (PubChem CID 5180373) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is 1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
PubChem CID5180373
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCCOc1cc(Cl)c(C=NNC(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C18H20ClN3O3/c1-4-25-17-10-14(19)13(9-16(17)24-3)11-20-22-18(23)21-15-8-6-5-7-12(15)2/h5-11H,4H2,1-3H3,(H2,21,22,23)
InChIKeyYGTXUBOMYSMFRK-UHFFFAOYSA-N
XLogP4.21
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5148773
1-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3554168
1-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 4590748
1-[(2-ethoxynaphthalen-1-yl)methylideneamino]-3-(2-methylphenyl)urea
CID 926829
1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 6065465
1-[[2-bromo-4-[(3-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 5038961
N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3513929
1-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3899116
1-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 3947550
[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]urea
CID 168533319
N-[(Z)-(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126205431
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-phenoxyacetamide
CID 54784607

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea (CID 5180373) is 1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea is CCOc1cc(Cl)c(C=NNC(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of 1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The InChIKey is YGTXUBOMYSMFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-4-25-17-10-14(19)13(9-16(17)24-3)11-20-22-18(23)21-15-8-6-5-7-12(15)2/h5-11H,4H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea has a molecular weight of 361.83 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea is sourced from PubChem (CID 5180373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).