(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide

C18H17BrN2O2 — CID 17285905

IUPAC(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1ccccc1Br
InChIInChI=1S/C18H17BrN2O2/c1-12-7-3-4-8-14(12)11-17(20-13(2)22)18(23)21-16-10-6-5-9-15(16)19/h3-11H,1-2H3,(H,20,22)(H,21,23)/b17-11-
InChIKeyAIHSCCGNWPLCGO-BOPFTXTBSA-N
MW373.25 g/mol
LogP3.87
Rot. Bonds4

About (Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide

(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 17285905) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is (Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID17285905
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1ccccc1Br
InChIInChI=1S/C18H17BrN2O2/c1-12-7-3-4-8-14(12)11-17(20-13(2)22)18(23)21-16-10-6-5-9-15(16)19/h3-11H,1-2H3,(H,20,22)(H,21,23)/b17-11-
InChIKeyAIHSCCGNWPLCGO-BOPFTXTBSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.87
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

2-acetamido-N-(2-hydroxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929285
(Z)-2-acetamido-N-(2,3-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 19629147
(Z)-2-acetamido-N-(3-acetamido-4-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 54777104
(Z)-2-acetamido-N-(4-anilinophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285895
(Z)-2-acetamido-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285888
2-acetamido-N-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929239
(Z)-2-acetamido-N-(2-ethyl-6-methylphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 17285918
(Z)-2-acetamido-3-(2-methylphenyl)-N-prop-2-enylprop-2-enamide
CID 19629150
2-acetamido-N-(3-methoxyphenyl)-3-(2-methylphenyl)prop-2-enamide
CID 4929290
ethyl 4-[[2-acetamido-3-(2-methylphenyl)prop-2-enoyl]amino]benzoate
CID 4929280
2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897
N-[1-(2-chlorophenyl)-3-(2-methylanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 1351912

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide (CID 17285905) is (Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide is CC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1ccccc1Br.
What is the InChIKey of (Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is AIHSCCGNWPLCGO-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-12-7-3-4-8-14(12)11-17(20-13(2)22)18(23)21-16-10-6-5-9-15(16)19/h3-11H,1-2H3,(H,20,22)(H,21,23)/b17-11-.
What are the key properties of (Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide?
(Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 373.25 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-(2-bromophenyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 17285905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).