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

C17H15Cl2N3O2 — CID 6875652

IUPACN-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H15Cl2N3O2/c1-2-16(23)21-12-8-6-11(7-9-12)17(24)22-20-10-13-14(18)4-3-5-15(13)19/h3-10H,2H2,1H3,(H,21,23)(H,22,24)/b20-10+
InChIKeyUJYAZEBGNZKXJE-KEBDBYFISA-N
MW364.23 g/mol
LogP4.11
Rot. Bonds5

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

N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide (PubChem CID 6875652) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
PubChem CID6875652
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC NameN-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H15Cl2N3O2/c1-2-16(23)21-12-8-6-11(7-9-12)17(24)22-20-10-13-14(18)4-3-5-15(13)19/h3-10H,2H2,1H3,(H,21,23)(H,22,24)/b20-10+
InChIKeyUJYAZEBGNZKXJE-KEBDBYFISA-N
XLogP4.11
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.11
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'}

Analyze N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943
4-amino-N-[(E)-(2,6-dichlorophenyl)methylideneamino]benzamide
CID 6898711
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 136817906
4-chloro-N-[(Z)-(2-chloro-6-hydroxyphenyl)methylideneamino]benzamide
CID 137058198
N-[(E)-(2,6-difluorophenyl)methylideneamino]-3-(propanoylamino)benzamide
CID 45109562
4-(propanoylamino)-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
CID 6875653
N-[(2,6-dichlorophenyl)methylideneamino]-4-nitrobenzamide
CID 774733
4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980480
N-[(5-methylthiophen-2-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 832654

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide?
The IUPAC name of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide (CID 6875652) is N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide?
The InChIKey is UJYAZEBGNZKXJE-KEBDBYFISA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c1-2-16(23)21-12-8-6-11(7-9-12)17(24)22-20-10-13-14(18)4-3-5-15(13)19/h3-10H,2H2,1H3,(H,21,23)(H,22,24)/b20-10+.
What are the key properties of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide?
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide has a molecular weight of 364.23 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide is sourced from PubChem (CID 6875652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).