(E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide

C19H19BrN2O2 — CID 38044413

IUPAC(E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2ccccc2Br)cc1
InChIInChI=1S/C19H19BrN2O2/c1-14(23)21-17-10-7-15(8-11-17)9-12-19(24)22(2)13-16-5-3-4-6-18(16)20/h3-12H,13H2,1-2H3,(H,21,23)/b12-9+
InChIKeyYOMWOBOFFCDCAW-FMIVXFBMSA-N
MW387.28 g/mol
LogP4.08
Rot. Bonds5

About (E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide

(E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide (PubChem CID 38044413) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is (E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide
PubChem CID38044413
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name(E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide
SMILESCC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2ccccc2Br)cc1
InChIInChI=1S/C19H19BrN2O2/c1-14(23)21-17-10-7-15(8-11-17)9-12-19(24)22(2)13-16-5-3-4-6-18(16)20/h3-12H,13H2,1-2H3,(H,21,23)/b12-9+
InChIKeyYOMWOBOFFCDCAW-FMIVXFBMSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-acetamidophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047465
(E)-N-[(2-bromophenyl)methyl]-3-(3,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 39995953
2-(4-acetamidophenoxy)-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 84601844
N-methyl-N-[(2-methylphenyl)methyl]-3-phenylprop-2-enamide
CID 102603359
(E)-N-[(2-bromophenyl)methyl]-3-(3-chloro-4,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 34866601
(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
CID 35687554
N-[4-[(1Z,4E)-5-(4-acetamidophenyl)-3-oxopenta-1,4-dienyl]phenyl]acetamide
CID 92840931
(E)-3-(4-fluorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 134047167
(E)-N-methyl-N-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 134059236
(E)-3-(4-acetamidophenyl)-N-[1-(2-bromophenyl)ethyl]prop-2-enamide
CID 51333812
(E)-3-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 26268813
4-[(2-bromophenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993043

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide (CID 38044413) is (E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide is CC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2ccccc2Br)cc1.
What is the InChIKey of (E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide?
The InChIKey is YOMWOBOFFCDCAW-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-14(23)21-17-10-7-15(8-11-17)9-12-19(24)22(2)13-16-5-3-4-6-18(16)20/h3-12H,13H2,1-2H3,(H,21,23)/b12-9+.
What are the key properties of (E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide?
(E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide has a molecular weight of 387.28 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-acetamidophenyl)-N-[(2-bromophenyl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 38044413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).