N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide

C18H19ClN2O2 — CID 6004384

IUPACN-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCC/C(=N\NC(=O)Cc1ccc(OC)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-3-17(14-5-4-6-15(19)12-14)20-21-18(22)11-13-7-9-16(23-2)10-8-13/h4-10,12H,3,11H2,1-2H3,(H,21,22)/b20-17+
InChIKeyMLSSRVAHRPEFPU-LVZFUZTISA-N
MW330.82 g/mol
LogP3.82
Rot. Bonds6

About N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 6004384) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID6004384
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCC/C(=N\NC(=O)Cc1ccc(OC)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-3-17(14-5-4-6-15(19)12-14)20-21-18(22)11-13-7-9-16(23-2)10-8-13/h4-10,12H,3,11H2,1-2H3,(H,21,22)/b20-17+
InChIKeyMLSSRVAHRPEFPU-LVZFUZTISA-N
XLogP3.82
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 ≤ 53.82
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-(3-chlorophenyl)propylideneamino]-2-phenylacetamide
CID 6258037
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
N-[1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 5093411
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 6268412
2-(4-methoxyphenyl)-N-(1-phenylbutylideneamino)acetamide
CID 3467394
N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide
CID 6063002
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
CID 4168885
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]acetamide
CID 4582547
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
4-(4-chloro-2-methylphenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]butanamide
CID 4648642
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide (CID 6004384) is N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide is CC/C(=N\NC(=O)Cc1ccc(OC)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is MLSSRVAHRPEFPU-LVZFUZTISA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-17(14-5-4-6-15(19)12-14)20-21-18(22)11-13-7-9-16(23-2)10-8-13/h4-10,12H,3,11H2,1-2H3,(H,21,22)/b20-17+.
What are the key properties of N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 330.82 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-chlorophenyl)propylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 6004384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).