2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide

C17H17ClN2O2 — CID 4096350

IUPAC2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H17ClN2O2/c1-3-16(12-8-10-13(22-2)11-9-12)19-20-17(21)14-6-4-5-7-15(14)18/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyWHDIBCZTOCMKPZ-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.89
Rot. Bonds5

About 2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide

2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide (PubChem CID 4096350) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
PubChem CID4096350
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H17ClN2O2/c1-3-16(12-8-10-13(22-2)11-9-12)19-20-17(21)14-6-4-5-7-15(14)18/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyWHDIBCZTOCMKPZ-UHFFFAOYSA-N
XLogP3.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
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-methylphenyl)propylideneamino]benzamide
CID 4195749
2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
CID 9016363
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
CID 840640
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4286726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide (CID 4096350) is 2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide is CCC(=NNC(=O)c1ccccc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide?
The InChIKey is WHDIBCZTOCMKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-3-16(12-8-10-13(22-2)11-9-12)19-20-17(21)14-6-4-5-7-15(14)18/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide?
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide has a molecular weight of 316.79 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide is sourced from PubChem (CID 4096350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).