5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

C15H15BrN2O5 — CID 2919273

IUPAC5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NCCCO)C(=Cc1ccco1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O5/c16-13-5-4-12(23-13)15(21)18-11(9-10-3-1-8-22-10)14(20)17-6-2-7-19/h1,3-5,8-9,19H,2,6-7H2,(H,17,20)(H,18,21)
InChIKeyMIMJITNLPUQSAZ-UHFFFAOYSA-N
MW383.20 g/mol
LogP1.90
Rot. Bonds7

About 5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (PubChem CID 2919273) has the molecular formula C15H15BrN2O5 and a molecular weight of 383.20 g/mol. Its IUPAC name is 5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
PubChem CID2919273
Molecular FormulaC15H15BrN2O5
Molecular Weight383.20 g/mol
Exact Mass382.02
IUPAC Name5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
SMILESO=C(NCCCO)C(=Cc1ccco1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H15BrN2O5/c16-13-5-4-12(23-13)15(21)18-11(9-10-3-1-8-22-10)14(20)17-6-2-7-19/h1,3-5,8-9,19H,2,6-7H2,(H,17,20)(H,18,21)
InChIKeyMIMJITNLPUQSAZ-UHFFFAOYSA-N
XLogP1.90
TPSA104.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid
CID 92848509
N-[1-(4-bromophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 3126181
(2S)-2-[[(Z)-2-[(5-bromofuran-2-carbonyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 7122484
4-[[(E)-2-[(5-bromofuran-2-carbonyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 6971973
(Z)-3-(furan-2-yl)-N-(3-hydroxypropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 7480372
N-[1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3092968
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 86942198
N-[1-(furan-2-yl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873413
N-[(Z)-1-(furan-2-yl)-3-(4-methylpentylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 86942346
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 100746621
N-[1-(furan-2-yl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-4-nitrobenzamide
CID 5001613
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[3-(4-propan-2-yloxyphenyl)propylamino]prop-1-en-2-yl]-4-methylbenzamide
CID 100618369

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide (CID 2919273) is 5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is O=C(NCCCO)C(=Cc1ccco1)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
The InChIKey is MIMJITNLPUQSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O5/c16-13-5-4-12(23-13)15(21)18-11(9-10-3-1-8-22-10)14(20)17-6-2-7-19/h1,3-5,8-9,19H,2,6-7H2,(H,17,20)(H,18,21).
What are the key properties of 5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide?
5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide has a molecular weight of 383.20 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(furan-2-yl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2919273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).