1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea

C16H15Cl2N3O2 — CID 6065465

IUPAC1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCOc1c(Cl)cc(/C=N\NC(=O)Nc2ccccc2C)cc1Cl
InChIInChI=1S/C16H15Cl2N3O2/c1-10-5-3-4-6-14(10)20-16(22)21-19-9-11-7-12(17)15(23-2)13(18)8-11/h3-9H,1-2H3,(H2,20,21,22)/b19-9-
InChIKeyGRJPFNWOXAKSPU-OCKHKDLRSA-N
MW352.22 g/mol
LogP4.47
Rot. Bonds4

About 1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea

1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea (PubChem CID 6065465) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
PubChem CID6065465
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCOc1c(Cl)cc(/C=N\NC(=O)Nc2ccccc2C)cc1Cl
InChIInChI=1S/C16H15Cl2N3O2/c1-10-5-3-4-6-14(10)20-16(22)21-19-9-11-7-12(17)15(23-2)13(18)8-11/h3-9H,1-2H3,(H2,20,21,22)/b19-9-
InChIKeyGRJPFNWOXAKSPU-OCKHKDLRSA-N
XLogP4.47
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,6-dichloro-4-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]phenoxy]acetic acid
CID 3953279
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926819
1-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822279
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
1-[[3-bromo-5-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-(2-methylphenyl)urea
CID 3257710
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 6108849
1-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 4590748
1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 110532874
2-chloro-N-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]benzamide
CID 110509279
1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea
CID 5420606
methyl 2-[2,6-diiodo-4-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]phenoxy]acetate
CID 3922281

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea (CID 6065465) is 1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea is COc1c(Cl)cc(/C=N\NC(=O)Nc2ccccc2C)cc1Cl.
What is the InChIKey of 1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
The InChIKey is GRJPFNWOXAKSPU-OCKHKDLRSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-10-5-3-4-6-14(10)20-16(22)21-19-9-11-7-12(17)15(23-2)13(18)8-11/h3-9H,1-2H3,(H2,20,21,22)/b19-9-.
What are the key properties of 1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea?
1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea has a molecular weight of 352.22 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea is sourced from PubChem (CID 6065465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).