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

C17H13Cl3N2O2 — CID 75842438

IUPACN-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C=Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H13Cl3N2O2/c1-10(23)21-12-6-7-13(18)15(9-12)22-16(24)8-5-11-3-2-4-14(19)17(11)20/h2-9H,1H3,(H,21,23)(H,22,24)
InChIKeyCDGZEJKRPSCTTQ-UHFFFAOYSA-N
MW383.66 g/mol
LogP5.26
Rot. Bonds4

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

N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide (PubChem CID 75842438) has the molecular formula C17H13Cl3N2O2 and a molecular weight of 383.66 g/mol. Its IUPAC name is N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide
PubChem CID75842438
Molecular FormulaC17H13Cl3N2O2
Molecular Weight383.66 g/mol
Exact Mass382.00
IUPAC NameN-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)C=Cc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H13Cl3N2O2/c1-10(23)21-12-6-7-13(18)15(9-12)22-16(24)8-5-11-3-2-4-14(19)17(11)20/h2-9H,1H3,(H,21,23)(H,22,24)
InChIKeyCDGZEJKRPSCTTQ-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-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methylphenyl]prop-2-enamide
CID 6234801
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
(E)-3-(2,3-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9141161
(E)-N-[2-chloro-5-(propanoylamino)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 94092976
N-(3-acetamido-4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 103598612
3-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)prop-2-enamide
CID 76859976
(E)-N-(5-acetamido-2-methoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 26243278
2-chloro-4-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 55877500
(E)-3-(2,3-dichlorophenyl)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]prop-2-enamide
CID 9146061
3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
CID 5082597
N-(5-acetamido-2-chlorophenyl)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enamide
CID 55916341

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide?
The IUPAC name of N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide (CID 75842438) is N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide?
The canonical SMILES for N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide is CC(=O)Nc1ccc(Cl)c(NC(=O)C=Cc2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide?
The InChIKey is CDGZEJKRPSCTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2O2/c1-10(23)21-12-6-7-13(18)15(9-12)22-16(24)8-5-11-3-2-4-14(19)17(11)20/h2-9H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-chlorophenyl)-3-(2,3-dichlorophenyl)prop-2-enamide?
N-(5-acetamido-2-chlorophenyl)-3-(2,3-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-(2,3-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 75842438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).