(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide

C17H14Cl3NO3 — CID 1181184

IUPAC(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)cc1Cl
InChIInChI=1S/C17H14Cl3NO3/c1-23-15-9-14(16(24-2)8-13(15)20)21-17(22)6-4-10-3-5-11(18)7-12(10)19/h3-9H,1-2H3,(H,21,22)/b6-4+
InChIKeyCWJQQFDJJWAZSO-GQCTYLIASA-N
MW386.66 g/mol
LogP5.32
Rot. Bonds5

About (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide

(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 1181184) has the molecular formula C17H14Cl3NO3 and a molecular weight of 386.66 g/mol. Its IUPAC name is (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID1181184
Molecular FormulaC17H14Cl3NO3
Molecular Weight386.66 g/mol
Exact Mass385.00
IUPAC Name(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)cc1Cl
InChIInChI=1S/C17H14Cl3NO3/c1-23-15-9-14(16(24-2)8-13(15)20)21-17(22)6-4-10-3-5-11(18)7-12(10)19/h3-9H,1-2H3,(H,21,22)/b6-4+
InChIKeyCWJQQFDJJWAZSO-GQCTYLIASA-N
XLogP5.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.66
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 5-chloro-4-[3-(2,4-dichlorophenyl)prop-2-enoylamino]-2-methoxybenzoate
CID 1183481
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84551958
N-(4-chloro-2,5-dimethoxyphenyl)but-2-enamide
CID 2839569
2-chloro-N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2-methoxyphenyl]benzamide
CID 17117613
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2,4-dichlorophenyl)prop-2-enamide
CID 30390267
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 5226614
(E)-3-(2,4-dichlorophenyl)-N-[4-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-3-methylphenyl]-2-methylphenyl]prop-2-enamide
CID 6015566
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1069724
2-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]-4,5-dimethoxybenzoic acid
CID 17296321
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 9438970
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84551986

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (CID 1181184) is (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)cc1Cl.
What is the InChIKey of (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is CWJQQFDJJWAZSO-GQCTYLIASA-N. The full InChI is InChI=1S/C17H14Cl3NO3/c1-23-15-9-14(16(24-2)8-13(15)20)21-17(22)6-4-10-3-5-11(18)7-12(10)19/h3-9H,1-2H3,(H,21,22)/b6-4+.
What are the key properties of (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 386.66 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 1181184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).