N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide

C18H19ClN2O — CID 3679714

IUPACN-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
SMILESCCC(=NNC(=O)c1ccc(C)c(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c1-4-17(14-7-9-16(19)10-8-14)20-21-18(22)15-6-5-12(2)13(3)11-15/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyDPZWHUOPZUXYDX-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.50
Rot. Bonds4

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

N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide (PubChem CID 3679714) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
PubChem CID3679714
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC NameN-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide
SMILESCCC(=NNC(=O)c1ccc(C)c(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O/c1-4-17(14-7-9-16(19)10-8-14)20-21-18(22)15-6-5-12(2)13(3)11-15/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyDPZWHUOPZUXYDX-UHFFFAOYSA-N
XLogP4.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.50
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
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 6011612
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
4-chloro-N-[(E)-1-(2,5-dihydroxyphenyl)propylideneamino]benzamide
CID 135621561
5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide
CID 5334242
4-chloro-N-[(Z)-1-[5-chloro-2-(methylamino)phenyl]propylideneamino]benzamide
CID 91609196
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
N-[(Z)-1-(4-chlorophenyl)propylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 7813174
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide (CID 3679714) is N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide is CCC(=NNC(=O)c1ccc(C)c(C)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide?
The InChIKey is DPZWHUOPZUXYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-4-17(14-7-9-16(19)10-8-14)20-21-18(22)15-6-5-12(2)13(3)11-15/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide?
N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide has a molecular weight of 314.82 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propylideneamino]-3,4-dimethylbenzamide is sourced from PubChem (CID 3679714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).