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

C18H19ClN2O3 — CID 4168885

IUPACN-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
SMILESCCC(=NNC(=O)c1ccc(OC)c(OC)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-4-15(12-6-5-7-14(19)10-12)20-21-18(22)13-8-9-16(23-2)17(11-13)24-3/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyKYQJBJKHIINIPK-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.90
Rot. Bonds6

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

N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide (PubChem CID 4168885) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
PubChem CID4168885
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide
SMILESCCC(=NNC(=O)c1ccc(OC)c(OC)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H19ClN2O3/c1-4-15(12-6-5-7-14(19)10-12)20-21-18(22)13-8-9-16(23-2)17(11-13)24-3/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyKYQJBJKHIINIPK-UHFFFAOYSA-N
XLogP3.90
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
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

N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]benzamide
CID 40604063
3,4-dichloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 4256209
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134
N-[1-(3-chlorophenyl)propylideneamino]-4-methylbenzamide
CID 3271296
N-[1-(3-chlorophenyl)propylideneamino]-3,4,5-trihydroxybenzamide
CID 4284315
3,4-dimethoxy-N-(1-phenylbutylideneamino)benzamide
CID 3988968
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6241485
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126143054
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
[1-(3,4-dimethoxyphenyl)propylideneamino]thiourea
CID 915555

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide (CID 4168885) is N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide is CCC(=NNC(=O)c1ccc(OC)c(OC)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is KYQJBJKHIINIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-4-15(12-6-5-7-14(19)10-12)20-21-18(22)13-8-9-16(23-2)17(11-13)24-3/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide?
N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 4168885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).