5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

C16H13BrN2O2 — CID 53329234

IUPAC5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESNC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H13BrN2O2/c17-12-7-8-14(13(10-12)16(18)21)19-15(20)9-6-11-4-2-1-3-5-11/h1-10H,(H2,18,21)(H,19,20)/b9-6+
InChIKeyJZBSYFUDPOXALL-RMKNXTFCSA-N
MW345.20 g/mol
LogP3.20
Rot. Bonds4

About 5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (PubChem CID 53329234) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
PubChem CID53329234
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESNC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C16H13BrN2O2/c17-12-7-8-14(13(10-12)16(18)21)19-15(20)9-6-11-4-2-1-3-5-11/h1-10H,(H2,18,21)(H,19,20)/b9-6+
InChIKeyJZBSYFUDPOXALL-RMKNXTFCSA-N
XLogP3.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.20
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

5-Bromoisatin
CID 6889
2-Amino-N-phenylbenzamide
CID 78142
Benzamide, N-(3-bromophenyl)-
CID 202396
2-bromo-N-(3-butyramidophenyl)benzamide
CID 1048267
Benzamide, 2-bromo-N-(4-bromophenyl)-
CID 603324
1,2,3-Benzotriazin-4(3H)-one, 3-(4-bromophenyl)-
CID 593390
2-(Acetylamino)benzamide
CID 118553
Benzamide, N-(4-bromophenyl)-
CID 101357
8-Bromo-2-methyl-4-quinolinol
CID 843748
6-Bromo-2-methylquinolin-4-ol
CID 2905902
2-Amino-5-bromobenzophenone
CID 99677
4'-Bromo-4-methylbenzanilide
CID 531830

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of 5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (CID 53329234) is 5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for 5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for 5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is NC(=O)c1cc(Br)ccc1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of 5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is JZBSYFUDPOXALL-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-12-7-8-14(13(10-12)16(18)21)19-15(20)9-6-11-4-2-1-3-5-11/h1-10H,(H2,18,21)(H,19,20)/b9-6+.
What are the key properties of 5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 345.20 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 53329234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).