N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

C17H14Cl3NO3 — CID 1421848

IUPACN-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)C=Cc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C17H14Cl3NO3/c1-23-15-5-4-11(18)9-14(15)21-16(22)6-3-10-7-12(19)8-13(20)17(10)24-2/h3-9H,1-2H3,(H,21,22)
InChIKeyLPJHHFYQHXHFRL-UHFFFAOYSA-N
MW386.66 g/mol
LogP5.32
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide (PubChem CID 1421848) has the molecular formula C17H14Cl3NO3 and a molecular weight of 386.66 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
PubChem CID1421848
Molecular FormulaC17H14Cl3NO3
Molecular Weight386.66 g/mol
Exact Mass385.00
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)C=Cc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C17H14Cl3NO3/c1-23-15-5-4-11(18)9-14(15)21-16(22)6-3-10-7-12(19)8-13(20)17(10)24-2/h3-9H,1-2H3,(H,21,22)
InChIKeyLPJHHFYQHXHFRL-UHFFFAOYSA-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

3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4004961
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 17340973
methyl 2-[3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 4203326
(E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1397404
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1181184
N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1395964
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 1421909
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9098331
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2-fluorophenyl)prop-2-enamide
CID 9097467
N-(3-acetylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1422060

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide (CID 1421848) is N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide is COc1ccc(Cl)cc1NC(=O)C=Cc1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The InChIKey is LPJHHFYQHXHFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3NO3/c1-23-15-5-4-11(18)9-14(15)21-16(22)6-3-10-7-12(19)8-13(20)17(10)24-2/h3-9H,1-2H3,(H,21,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)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 N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1421848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).