N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide

C17H16ClN3O2 — CID 1225540

IUPACN-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(C(C)=NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-11(13-7-9-14(10-8-13)19-12(2)22)20-21-17(23)15-5-3-4-6-16(15)18/h3-10H,1-2H3,(H,19,22)(H,21,23)
InChIKeyMUZXIVMDDIOKKZ-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.45
Rot. Bonds4

About N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide

N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide (PubChem CID 1225540) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
PubChem CID1225540
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC NameN-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
SMILESCC(=O)Nc1ccc(C(C)=NNC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClN3O2/c1-11(13-7-9-14(10-8-13)19-12(2)22)20-21-17(23)15-5-3-4-6-16(15)18/h3-10H,1-2H3,(H,19,22)(H,21,23)
InChIKeyMUZXIVMDDIOKKZ-UHFFFAOYSA-N
XLogP3.45
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.45
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-chloro-N-[1-(4-cyanophenyl)ethylideneamino]benzamide
CID 5254182
2,5-dichloro-N-[(Z)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6085732
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
2-chloro-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]benzamide
CID 3997107
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340
4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6134709
2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide
CID 9016411
3,4-dichloro-N-[(Z)-1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]benzamide
CID 6177494
N-[(E)-1-(4-acetamidophenyl)ethylideneamino]-3-chloro-1-benzothiophene-2-carboxamide
CID 40604717
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide?
The IUPAC name of N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide (CID 1225540) is N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide is CC(=O)Nc1ccc(C(C)=NNC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide?
The InChIKey is MUZXIVMDDIOKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11(13-7-9-14(10-8-13)19-12(2)22)20-21-17(23)15-5-3-4-6-16(15)18/h3-10H,1-2H3,(H,19,22)(H,21,23).
What are the key properties of N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide?
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide has a molecular weight of 329.79 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide is sourced from PubChem (CID 1225540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).