N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide

C17H14Cl2N2O2 — CID 1280125

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NN=Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2/c1-23-15-7-2-12(3-8-15)4-9-17(22)21-20-11-13-5-6-14(18)10-16(13)19/h2-11H,1H3,(H,21,22)
InChIKeyKKQDNJXCHBSDBB-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.17
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide

N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 1280125) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID1280125
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)NN=Cc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2/c1-23-15-7-2-12(3-8-15)4-9-17(22)21-20-11-13-5-6-14(18)10-16(13)19/h2-11H,1H3,(H,21,22)
InChIKeyKKQDNJXCHBSDBB-UHFFFAOYSA-N
XLogP4.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(Z)-(3-chlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 126063270
(E)-3-(4-chlorophenyl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 126067611
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methylideneamino]prop-2-enamide
CID 1280138
(Z)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-phenylprop-2-enamide
CID 92856946
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide
CID 1280148
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
methyl 4-[(Z)-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]hydrazinylidene]methyl]benzoate
CID 126070082
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide (CID 1280125) is N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(C=CC(=O)NN=Cc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is KKQDNJXCHBSDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-23-15-7-2-12(3-8-15)4-9-17(22)21-20-11-13-5-6-14(18)10-16(13)19/h2-11H,1H3,(H,21,22).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide?
N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 349.22 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1280125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).