(Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide

C17H13Cl2N3O4 — CID 17285820

IUPAC(Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3O4/c1-10(23)20-16(8-11-3-2-4-13(7-11)22(25)26)17(24)21-15-6-5-12(18)9-14(15)19/h2-9H,1H3,(H,20,23)(H,21,24)/b16-8-
InChIKeyMNHDNXRYVGEWEU-PXNMLYILSA-N
MW394.21 g/mol
LogP4.02
Rot. Bonds5

About (Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide

(Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 17285820) has the molecular formula C17H13Cl2N3O4 and a molecular weight of 394.21 g/mol. Its IUPAC name is (Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID17285820
Molecular FormulaC17H13Cl2N3O4
Molecular Weight394.21 g/mol
Exact Mass393.03
IUPAC Name(Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3O4/c1-10(23)20-16(8-11-3-2-4-13(7-11)22(25)26)17(24)21-15-6-5-12(18)9-14(15)19/h2-9H,1H3,(H,20,23)(H,21,24)/b16-8-
InChIKeyMNHDNXRYVGEWEU-PXNMLYILSA-N
XLogP4.02
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-(3,5-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926207
2-chloro-N-[(Z)-3-(2,4-dichloroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-fluorobenzamide
CID 46497221
(Z)-2-acetamido-N-(2,4-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17285822
2-acetamido-N-(3,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926208
(E)-2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 6232705
2-acetamido-N-methyl-3-(3-nitrophenyl)prop-2-enamide
CID 4926309
5-chloro-2-methoxy-N-[(Z)-3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 46497332
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 54777092
2-acetamido-N-(2-ethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 4926261
2-acetamido-3-(3-nitrophenyl)-N-propan-2-ylprop-2-enamide
CID 4205408
2-chloro-N-[(Z)-3-(2,4-difluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzamide
CID 46497297
5-chloro-2-[[(E)-2-methyl-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoic acid
CID 23292190

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 17285820) is (Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide is CC(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is MNHDNXRYVGEWEU-PXNMLYILSA-N. The full InChI is InChI=1S/C17H13Cl2N3O4/c1-10(23)20-16(8-11-3-2-4-13(7-11)22(25)26)17(24)21-15-6-5-12(18)9-14(15)19/h2-9H,1H3,(H,20,23)(H,21,24)/b16-8-.
What are the key properties of (Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide?
(Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 394.21 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-(2,4-dichlorophenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 17285820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).