N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide

C23H19BrN2O3 — CID 1313005

IUPACN-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide
SMILESO=C(NCc1ccccc1)C(=CC=Cc1ccccc1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C23H19BrN2O3/c24-21-15-14-20(29-21)23(28)26-19(13-7-12-17-8-3-1-4-9-17)22(27)25-16-18-10-5-2-6-11-18/h1-15H,16H2,(H,25,27)(H,26,28)
InChIKeyAFRMVNCOKWNPLR-UHFFFAOYSA-N
MW451.32 g/mol
LogP4.69
Rot. Bonds7

About N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide

N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide (PubChem CID 1313005) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide
PubChem CID1313005
Molecular FormulaC23H19BrN2O3
Molecular Weight451.32 g/mol
Exact Mass450.06
IUPAC NameN-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide
SMILESO=C(NCc1ccccc1)C(=CC=Cc1ccccc1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C23H19BrN2O3/c24-21-15-14-20(29-21)23(28)26-19(13-7-12-17-8-3-1-4-9-17)22(27)25-16-18-10-5-2-6-11-18/h1-15H,16H2,(H,25,27)(H,26,28)
InChIKeyAFRMVNCOKWNPLR-UHFFFAOYSA-N
XLogP4.69
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromofuran-2-carbonyl)amino]-5-phenylpenta-2,4-dienoic acid
CID 1293136
(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoate
CID 7375615
N-[(2E,4E)-1-[(2-aminophenyl)methylamino]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 124657436
4-bromo-N-[1-oxo-5-phenyl-1-(prop-2-enylamino)penta-2,4-dien-2-yl]benzamide
CID 3459016
5-bromo-N-[3-[2-(2-methyl-1H-indol-3-yl)ethylamino]-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 3913152
N-[(E)-3-(benzylamino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5438976
(2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide
CID 155299089
5-bromo-N-[3-(naphthalen-2-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 3126160
(2S)-2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-phenylprop-2-enoyl]amino]-4-methylsulfanylbutanoic acid
CID 2291926
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
CID 155277984
5-bromo-N-[3-(ethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 4608488
N-[(E)-3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2252632

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide (CID 1313005) is N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide is O=C(NCc1ccccc1)C(=CC=Cc1ccccc1)NC(=O)c1ccc(Br)o1.
What is the InChIKey of N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide?
The InChIKey is AFRMVNCOKWNPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c24-21-15-14-20(29-21)23(28)26-19(13-7-12-17-8-3-1-4-9-17)22(27)25-16-18-10-5-2-6-11-18/h1-15H,16H2,(H,25,27)(H,26,28).
What are the key properties of N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide?
N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide has a molecular weight of 451.32 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 1313005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).