2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide

C18H20ClN3O2 — CID 71960114

IUPAC2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide
SMILESCOc1ccc(C(C)=NNC(=O)C(C)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12(14-4-10-17(24-3)11-5-14)21-22-18(23)13(2)20-16-8-6-15(19)7-9-16/h4-11,13,20H,1-3H3,(H,22,23)
InChIKeyNOEBSXXEZVZELL-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.69
Rot. Bonds6

About 2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide

2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide (PubChem CID 71960114) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide
PubChem CID71960114
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide
SMILESCOc1ccc(C(C)=NNC(=O)C(C)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O2/c1-12(14-4-10-17(24-3)11-5-14)21-22-18(23)13(2)20-16-8-6-15(19)7-9-16/h4-11,13,20H,1-3H3,(H,22,23)
InChIKeyNOEBSXXEZVZELL-UHFFFAOYSA-N
XLogP3.69
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide
CID 5403118
2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 71960241
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-methylpropanamide
CID 27877650
N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 19661028
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
2-(4-ethoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 71960214
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide
CID 6858361
(2R)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390539
2-(3-chloroanilino)-N-[1-(4-methylphenyl)ethylideneamino]propanamide
CID 4654925
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide
CID 51414732
(2R)-2-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 840626

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide?
The IUPAC name of 2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide (CID 71960114) is 2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide is COc1ccc(C(C)=NNC(=O)C(C)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide?
The InChIKey is NOEBSXXEZVZELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12(14-4-10-17(24-3)11-5-14)21-22-18(23)13(2)20-16-8-6-15(19)7-9-16/h4-11,13,20H,1-3H3,(H,22,23).
What are the key properties of 2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide?
2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide has a molecular weight of 345.83 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide is sourced from PubChem (CID 71960114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).