N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide

C26H19Cl2N3O2 — CID 6117391

IUPACN-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide
SMILESC/C(=N/NC(=O)c1cccc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C26H19Cl2N3O2/c1-16(30-31-26(33)22-11-5-7-17-6-2-3-10-21(17)22)18-8-4-9-20(14-18)29-25(32)23-13-12-19(27)15-24(23)28/h2-15H,1H3,(H,29,32)(H,31,33)/b30-16-
InChIKeyCIWQKGOPMOJRMW-UHBFCERESA-N
MW476.36 g/mol
LogP6.55
Rot. Bonds5

About N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide

N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide (PubChem CID 6117391) has the molecular formula C26H19Cl2N3O2 and a molecular weight of 476.36 g/mol. Its IUPAC name is N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide
PubChem CID6117391
Molecular FormulaC26H19Cl2N3O2
Molecular Weight476.36 g/mol
Exact Mass475.09
IUPAC NameN-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide
SMILESC/C(=N/NC(=O)c1cccc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C26H19Cl2N3O2/c1-16(30-31-26(33)22-11-5-7-17-6-2-3-10-21(17)22)18-8-4-9-20(14-18)29-25(32)23-13-12-19(27)15-24(23)28/h2-15H,1H3,(H,29,32)(H,31,33)/b30-16-
InChIKeyCIWQKGOPMOJRMW-UHBFCERESA-N
XLogP6.55
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.36
LogP ≤ 56.55
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'}

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Related Compounds

2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
2,4-dichloro-N-[1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 3699366
2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266105
2,4-dichloro-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6167444
2,4-dichloro-N-[3-[(Z)-N-[(2-hydroxy-2,2-diphenylacetyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6261065
2,4-dichloro-N-[3-[C-methyl-N-[(3-nitrobenzoyl)amino]carbonimidoyl]phenyl]benzamide
CID 3591047
2,4-dichloro-N-[4-[(Z)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266458
N-[(Z)-1-[3-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-fluorobenzamide
CID 6146725
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
N-[1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 5227167
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-3-methyl-4-nitrobenzamide
CID 6307189
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide (CID 6117391) is N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide is C/C(=N/NC(=O)c1cccc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide?
The InChIKey is CIWQKGOPMOJRMW-UHBFCERESA-N. The full InChI is InChI=1S/C26H19Cl2N3O2/c1-16(30-31-26(33)22-11-5-7-17-6-2-3-10-21(17)22)18-8-4-9-20(14-18)29-25(32)23-13-12-19(27)15-24(23)28/h2-15H,1H3,(H,29,32)(H,31,33)/b30-16-.
What are the key properties of N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide?
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide has a molecular weight of 476.36 g/mol, XLogP of 6.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 6117391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).