N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide

C17H13Cl3N2O2 — CID 75842434

IUPACN-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H13Cl3N2O2/c1-10(23)21-12-4-6-14(19)16(9-12)22-17(24)7-3-11-2-5-13(18)15(20)8-11/h2-9H,1H3,(H,21,23)(H,22,24)
InChIKeyDMBJMNHPQRXFEF-UHFFFAOYSA-N
MW383.66 g/mol
LogP5.26
Rot. Bonds4

About N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide

N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 75842434) has the molecular formula C17H13Cl3N2O2 and a molecular weight of 383.66 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID75842434
Molecular FormulaC17H13Cl3N2O2
Molecular Weight383.66 g/mol
Exact Mass382.00
IUPAC NameN-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H13Cl3N2O2/c1-10(23)21-12-4-6-14(19)16(9-12)22-17(24)7-3-11-2-5-13(18)15(20)8-11/h2-9H,1H3,(H,21,23)(H,22,24)
InChIKeyDMBJMNHPQRXFEF-UHFFFAOYSA-N
XLogP5.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide
CID 75842438
N-(3-acetamido-4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 103598616
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
N-(5-acetamido-2-chlorophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 55916341
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 72687476
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 60576632
3-(4-tert-butylphenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 4157185
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
N-(3-acetamido-4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 103598612
(E)-N-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 5404828
(E)-N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 6183154

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide (CID 75842434) is N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide is CC(=O)Nc1ccc(Cl)c(NC(=O)C=Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is DMBJMNHPQRXFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O2/c1-10(23)21-12-4-6-14(19)16(9-12)22-17(24)7-3-11-2-5-13(18)15(20)8-11/h2-9H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide?
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 383.66 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 75842434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).