N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide

C18H15BrN2O2 — CID 6512518

IUPACN-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide
SMILESNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1Br
InChIInChI=1S/C18H15BrN2O2/c19-15-11-5-4-10-14(15)18(23)21-16(17(20)22)12-6-9-13-7-2-1-3-8-13/h1-12H,(H2,20,22)(H,21,23)/b9-6+,16-12+
InChIKeyRDCAPRLOGQPOEP-LVEAOLTQSA-N
MW371.23 g/mol
LogP3.26
Rot. Bonds5

About N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide

N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide (PubChem CID 6512518) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide
PubChem CID6512518
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC NameN-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide
SMILESNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1Br
InChIInChI=1S/C18H15BrN2O2/c19-15-11-5-4-10-14(15)18(23)21-16(17(20)22)12-6-9-13-7-2-1-3-8-13/h1-12H,(H2,20,22)(H,21,23)/b9-6+,16-12+
InChIKeyRDCAPRLOGQPOEP-LVEAOLTQSA-N
XLogP3.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-bromobenzamide
CID 687458
Benzamide, 2-bromo-N-phenyl-
CID 25126
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CID 877874
3-bromo-N-[1-(cyanomethylcarbamoyl)cyclohexyl]benzamide
CID 11631953
N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
N-[1-(2-Bromo-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-3-cyclopentyl-propionamide
CID 1450121
N-[(E)-1-(4-bromophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-2-fluorobenzamide
CID 1923756
N~1~-[2-(4-Benzylpiperazino)-2-oxoethyl]-4-bromobenzamide
CID 2420336
N-[(E)-2-bromo-2-phenyl-1-(piperidine-1-carbonyl)vinyl]-4-fluoro-benzamide
CID 3002799
4-bromo-N-[(E)-2-bromo-2-phenyl-1-(piperidine-1-carbonyl)vinyl]benzamide
CID 3002806
1-(2-Bromobenzoyl)-2-phenylpyrrolidine-2-carboxamide
CID 3144332
4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide
CID 3591440

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide?
The IUPAC name of N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide (CID 6512518) is N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide.
What is the SMILES notation for N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide?
The canonical SMILES for N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide is NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1Br.
What is the InChIKey of N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide?
The InChIKey is RDCAPRLOGQPOEP-LVEAOLTQSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c19-15-11-5-4-10-14(15)18(23)21-16(17(20)22)12-6-9-13-7-2-1-3-8-13/h1-12H,(H2,20,22)(H,21,23)/b9-6+,16-12+.
What are the key properties of N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide?
N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide has a molecular weight of 371.23 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-1-amino-1-oxo-5-phenylpenta-2,4-dien-2-yl]-2-bromobenzamide is sourced from PubChem (CID 6512518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).