N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide

C17H16Cl2N2O — CID 19685167

IUPACN-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
SMILESCC/C(=N\NC(=O)c1cccc(C)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O/c1-3-16(14-8-7-13(18)10-15(14)19)20-21-17(22)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,21,22)/b20-16+
InChIKeyJWPLURSCQJZMNW-CAPFRKAQSA-N
MW335.23 g/mol
LogP4.85
Rot. Bonds4

About N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide

N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide (PubChem CID 19685167) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
PubChem CID19685167
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC NameN-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
SMILESCC/C(=N\NC(=O)c1cccc(C)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O/c1-3-16(14-8-7-13(18)10-15(14)19)20-21-17(22)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,21,22)/b20-16+
InChIKeyJWPLURSCQJZMNW-CAPFRKAQSA-N
XLogP4.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
CID 3681131
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6073439
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
CID 4181307
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide
CID 6300945
3-chloro-N-[(E)-1-(3-methylphenyl)ethylideneamino]benzamide
CID 19685334
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
CID 840640
3-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91169409

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide?
The IUPAC name of N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide (CID 19685167) is N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide.
What is the SMILES notation for N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide?
The canonical SMILES for N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide is CC/C(=N\NC(=O)c1cccc(C)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide?
The InChIKey is JWPLURSCQJZMNW-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c1-3-16(14-8-7-13(18)10-15(14)19)20-21-17(22)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3,(H,21,22)/b20-16+.
What are the key properties of N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide?
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide has a molecular weight of 335.23 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide is sourced from PubChem (CID 19685167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).