4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide

C14H11Cl2N3O — CID 6898711

IUPAC4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H11Cl2N3O/c15-12-2-1-3-13(16)11(12)8-18-19-14(20)9-4-6-10(17)7-5-9/h1-8H,17H2,(H,19,20)/b18-8+
InChIKeyBQCNMTNAKVVGMN-QGMBQPNBSA-N
MW308.17 g/mol
LogP3.34
Rot. Bonds3

About 4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide

4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide (PubChem CID 6898711) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
PubChem CID6898711
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
SMILESNc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H11Cl2N3O/c15-12-2-1-3-13(16)11(12)8-18-19-14(20)9-4-6-10(17)7-5-9/h1-8H,17H2,(H,19,20)/b18-8+
InChIKeyBQCNMTNAKVVGMN-QGMBQPNBSA-N
XLogP3.34
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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]-4-hydroxybenzamide
CID 773943
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
CID 137058198
N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
CID 774733
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 6875652
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
CID 5418894
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
4-amino-N-[(Z)-benzylideneamino]benzamide
CID 5398118
4-bromo-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]benzamide
CID 5339119
2-amino-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 680916
4-amino-N-[(Z)-[3-[(E)-[(4-aminobenzoyl)hydrazinylidene]methyl]-5-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98297741
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518234

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide (CID 6898711) is 4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide is Nc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide?
The InChIKey is BQCNMTNAKVVGMN-QGMBQPNBSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-12-2-1-3-13(16)11(12)8-18-19-14(20)9-4-6-10(17)7-5-9/h1-8H,17H2,(H,19,20)/b18-8+.
What are the key properties of 4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide?
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide has a molecular weight of 308.17 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6898711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).