N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide

C18H19ClN2O2 — CID 4931511

IUPACN-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=C(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-12-23-17-7-5-4-6-16(17)18(22)21-20-13(2)14-8-10-15(19)11-9-14/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyZSCZAJDNJFGLIY-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.28
Rot. Bonds6

About N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide

N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide (PubChem CID 4931511) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
PubChem CID4931511
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NN=C(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-3-12-23-17-7-5-4-6-16(17)18(22)21-20-13(2)14-8-10-15(19)11-9-14/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyZSCZAJDNJFGLIY-UHFFFAOYSA-N
XLogP4.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.28
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

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
CID 4931565
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
N-(1-phenylbutylideneamino)-2-propoxybenzamide
CID 4931478
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
2-ethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 142204372
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928960
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6054821
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-[(2,4-dichlorophenyl)methylideneamino]-2-propoxybenzamide
CID 4931422

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide (CID 4931511) is N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NN=C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide?
The InChIKey is ZSCZAJDNJFGLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-12-23-17-7-5-4-6-16(17)18(22)21-20-13(2)14-8-10-15(19)11-9-14/h4-11H,3,12H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide?
N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide has a molecular weight of 330.82 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide is sourced from PubChem (CID 4931511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).