N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide

C30H24Cl4N4O4 — CID 139078702

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1.COc1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/2C15H12Cl2N2O2/c2*1-21-13-4-2-3-10(7-13)15(20)19-18-9-11-5-6-12(16)8-14(11)17/h2*2-9H,1H3,(H,19,20)/b2*18-9+
InChIKeyGNCOZLRXIZKYDE-LZPDKLTRSA-N
MW646.36 g/mol
LogP7.53
Rot. Bonds8

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide (PubChem CID 139078702) has the molecular formula C30H24Cl4N4O4 and a molecular weight of 646.36 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
PubChem CID139078702
Molecular FormulaC30H24Cl4N4O4
Molecular Weight646.36 g/mol
Exact Mass644.06
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1.COc1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/2C15H12Cl2N2O2/c2*1-21-13-4-2-3-10(7-13)15(20)19-18-9-11-5-6-12(16)8-14(11)17/h2*2-9H,1H3,(H,19,20)/b2*18-9+
InChIKeyGNCOZLRXIZKYDE-LZPDKLTRSA-N
XLogP7.53
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.36
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
N-[(2,4-dichlorophenyl)methylideneamino]-3-hydroxy-4-methoxybenzamide
CID 123861498
N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 5069524
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide
CID 6018183
N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5160595
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-3-methoxybenzamide
CID 126110640
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide
CID 126085873
[2-methoxy-4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3516860

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide (CID 139078702) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1.COc1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide?
The InChIKey is GNCOZLRXIZKYDE-LZPDKLTRSA-N. The full InChI is InChI=1S/2C15H12Cl2N2O2/c2*1-21-13-4-2-3-10(7-13)15(20)19-18-9-11-5-6-12(16)8-14(11)17/h2*2-9H,1H3,(H,19,20)/b2*18-9+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide has a molecular weight of 646.36 g/mol, XLogP of 7.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 139078702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).