5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide

C16H16Br2N2O3 — CID 43011607

IUPAC5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCCC(NC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(Br)cc1
InChIInChI=1S/C16H16Br2N2O3/c1-2-12(10-3-5-11(17)6-4-10)20-15(21)9-19-16(22)13-7-8-14(18)23-13/h3-8,12H,2,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyBZLDRWGSUGTXRN-UHFFFAOYSA-N
MW444.12 g/mol
LogP3.80
Rot. Bonds6

About 5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 43011607) has the molecular formula C16H16Br2N2O3 and a molecular weight of 444.12 g/mol. Its IUPAC name is 5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID43011607
Molecular FormulaC16H16Br2N2O3
Molecular Weight444.12 g/mol
Exact Mass441.95
IUPAC Name5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCCC(NC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(Br)cc1
InChIInChI=1S/C16H16Br2N2O3/c1-2-12(10-3-5-11(17)6-4-10)20-15(21)9-19-16(22)13-7-8-14(18)23-13/h3-8,12H,2,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyBZLDRWGSUGTXRN-UHFFFAOYSA-N
XLogP3.80
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.12
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 8936906
5-bromo-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]furan-2-carboxamide
CID 7964359
5-bromo-N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 42909926
5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872
N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 40791696
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
(2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]pentanoic acid
CID 107564357
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
CID 27862886
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
5-bromo-N-[2-(propanoylamino)ethyl]furan-2-carboxamide
CID 108540408
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide (CID 43011607) is 5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide is CCC(NC(=O)CNC(=O)c1ccc(Br)o1)c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is BZLDRWGSUGTXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O3/c1-2-12(10-3-5-11(17)6-4-10)20-15(21)9-19-16(22)13-7-8-14(18)23-13/h3-8,12H,2,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 444.12 g/mol, XLogP of 3.80, 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-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 43011607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).