N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C16H15BrN2O3 — CID 2918548

IUPACN-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCCNC(=O)C(=Cc1ccc(Br)cc1)NC(=O)c1ccco1
InChIInChI=1S/C16H15BrN2O3/c1-2-18-15(20)13(10-11-5-7-12(17)8-6-11)19-16(21)14-4-3-9-22-14/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyDDRMEEVMANTQLG-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.95
Rot. Bonds5

About N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 2918548) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID2918548
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESCCNC(=O)C(=Cc1ccc(Br)cc1)NC(=O)c1ccco1
InChIInChI=1S/C16H15BrN2O3/c1-2-18-15(20)13(10-11-5-7-12(17)8-6-11)19-16(21)14-4-3-9-22-14/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyDDRMEEVMANTQLG-UHFFFAOYSA-N
XLogP2.95
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 3126181
N-[(E)-1-(4-bromophenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 5441805
N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]furan-2-carboxamide
CID 2885271
N-[(Z)-3-(furan-2-ylmethylamino)-3-oxo-1-phenylprop-1-en-2-yl]furan-2-carboxamide
CID 2270670
[4-[(E)-3-(benzylamino)-2-(furan-2-carbonylamino)-3-oxoprop-1-enyl]phenyl] acetate
CID 1134915
N-[1-(4-bromophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1107561
4-[[2-(furan-2-carbonylamino)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 2885296
2-[[2-(furan-2-carbonylamino)-3-(4-nitrophenyl)prop-2-enoyl]amino]acetate
CID 7007049
N-(ethylcarbamoyl)furan-2-carboxamide
CID 131178690
N-[(E)-3-(benzylamino)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5438976
5-bromo-N-[3-(ethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 4608488
3-[[(Z)-3-(4-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]propyl acetate
CID 2267677

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 2918548) is N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is CCNC(=O)C(=Cc1ccc(Br)cc1)NC(=O)c1ccco1.
What is the InChIKey of N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is DDRMEEVMANTQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-2-18-15(20)13(10-11-5-7-12(17)8-6-11)19-16(21)14-4-3-9-22-14/h3-10H,2H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 363.21 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2918548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).