N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide

C15H12Cl2N2O2 — CID 5069524

IUPACN-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H12Cl2N2O2/c1-21-12-4-2-3-11(8-12)15(20)19-18-9-10-5-6-13(16)14(17)7-10/h2-9H,1H3,(H,19,20)
InChIKeyXQZZKUQXPLWUGQ-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.77
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide

N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide (PubChem CID 5069524) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
PubChem CID5069524
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC NameN-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H12Cl2N2O2/c1-21-12-4-2-3-11(8-12)15(20)19-18-9-10-5-6-13(16)14(17)7-10/h2-9H,1H3,(H,19,20)
InChIKeyXQZZKUQXPLWUGQ-UHFFFAOYSA-N
XLogP3.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.77
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 4056523
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide
CID 126110640
[4-[(Z)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 124605345
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3702836
N-[(E)-[3-chloro-4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 126266935
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 25252437
[2-methoxy-4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3516860
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-methoxybenzamide
CID 6027249

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide (CID 5069524) is N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide?
The InChIKey is XQZZKUQXPLWUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c1-21-12-4-2-3-11(8-12)15(20)19-18-9-10-5-6-13(16)14(17)7-10/h2-9H,1H3,(H,19,20).
What are the key properties of N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide?
N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide has a molecular weight of 323.18 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 5069524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).