N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide

C17H17ClN2O — CID 3271296

IUPACN-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
SMILESCCC(=NNC(=O)c1ccc(C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-3-16(14-5-4-6-15(18)11-14)19-20-17(21)13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyYLSZXZPLAOSLEG-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.19
Rot. Bonds4

About N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide

N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide (PubChem CID 3271296) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
PubChem CID3271296
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
SMILESCCC(=NNC(=O)c1ccc(C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O/c1-3-16(14-5-4-6-15(18)11-14)19-20-17(21)13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyYLSZXZPLAOSLEG-UHFFFAOYSA-N
XLogP4.19
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.19
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

3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
CID 4284315
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6241485
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
CID 3679714
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide?
The IUPAC name of N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide (CID 3271296) is N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide is CCC(=NNC(=O)c1ccc(C)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide?
The InChIKey is YLSZXZPLAOSLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-3-16(14-5-4-6-15(18)11-14)19-20-17(21)13-9-7-12(2)8-10-13/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide?
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide has a molecular weight of 300.79 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide is sourced from PubChem (CID 3271296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).