1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea

C15H13Cl2N3O — CID 926819

IUPAC1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O/c1-10-4-2-3-5-14(10)19-15(21)20-18-9-11-6-7-12(16)13(17)8-11/h2-9H,1H3,(H2,19,20,21)
InChIKeyPUVYGXXMDOJYMQ-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.46
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea

1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea (PubChem CID 926819) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
PubChem CID926819
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NN=Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O/c1-10-4-2-3-5-14(10)19-15(21)20-18-9-11-6-7-12(16)13(17)8-11/h2-9H,1H3,(H2,19,20,21)
InChIKeyPUVYGXXMDOJYMQ-UHFFFAOYSA-N
XLogP4.46
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822279
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
1-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 6065465
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
1-(2-methylphenyl)-3-[(Z)-(3-methylphenyl)methylideneamino]urea
CID 5420606
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
1-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 110532874
1-(2-methylphenyl)-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5420664
2-[2,6-dichloro-4-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]phenoxy]acetic acid
CID 3953279
1-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136822085
1-[(4-methyl-3-nitrophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 926783
1-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 6108849

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea (CID 926819) is 1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NN=Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea?
The InChIKey is PUVYGXXMDOJYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-10-4-2-3-5-14(10)19-15(21)20-18-9-11-6-7-12(16)13(17)8-11/h2-9H,1H3,(H2,19,20,21).
What are the key properties of 1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea?
1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea has a molecular weight of 322.20 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methylideneamino]-3-(2-methylphenyl)urea is sourced from PubChem (CID 926819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).