5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide

C16H17BrN2O3 — CID 9294205

IUPAC5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
SMILESCCCc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H17BrN2O3/c1-2-3-11-4-6-12(7-5-11)19-15(20)10-18-16(21)13-8-9-14(17)22-13/h4-9H,2-3,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyBXMFZZICHTZXMG-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.36
Rot. Bonds6

About 5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide

5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide (PubChem CID 9294205) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
PubChem CID9294205
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
SMILESCCCc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H17BrN2O3/c1-2-3-11-4-6-12(7-5-11)19-15(20)10-18-16(21)13-8-9-14(17)22-13/h4-9H,2-3,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyBXMFZZICHTZXMG-UHFFFAOYSA-N
XLogP3.36
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55781738
N-[2-oxo-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]ethyl]furan-2-carboxamide
CID 9225396
5-bromo-N-[2-oxo-2-[(5-propyl-1H-pyrazol-3-yl)amino]ethyl]furan-2-carboxamide
CID 115619805
[2-(4-ethylanilino)-2-oxoethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883995
5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26560592
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 7978577
N-[2-(4-bromoanilino)-2-oxoethyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944389
N-[2-(4-chloroanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 47109152
N-[2-(4-ethoxyanilino)-2-oxoethyl]-5-methylfuran-2-carboxamide
CID 2991250
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 107564357
N-[2-(2-anilinoanilino)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 112809835

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide (CID 9294205) is 5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide is CCCc1ccc(NC(=O)CNC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide?
The InChIKey is BXMFZZICHTZXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-2-3-11-4-6-12(7-5-11)19-15(20)10-18-16(21)13-8-9-14(17)22-13/h4-9H,2-3,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide?
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 9294205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).