5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide

C17H19BrN2O3 — CID 55707431

IUPAC5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C17H19BrN2O3/c1-20(11-5-8-13-6-3-2-4-7-13)16(21)12-19-17(22)14-9-10-15(18)23-14/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,19,22)
InChIKeyPAIGBCYJLWENJU-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.86
Rot. Bonds7

About 5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 55707431) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID55707431
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)CNC(=O)c1ccc(Br)o1
InChIInChI=1S/C17H19BrN2O3/c1-20(11-5-8-13-6-3-2-4-7-13)16(21)12-19-17(22)14-9-10-15(18)23-14/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,19,22)
InChIKeyPAIGBCYJLWENJU-UHFFFAOYSA-N
XLogP2.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007116
5-bromo-N-[2-[cyclopropylmethyl(methyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47263424
5-bromo-N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 115760620
5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26619560
5-bromo-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 64510329
N-[2-[methyl(4-phenylbutyl)amino]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86876016
2-(cyclopropylamino)-N-methyl-N-(3-phenylpropyl)acetamide
CID 54924181
5-bromo-N-[3-(2-phenylethoxy)propyl]furan-2-carboxamide
CID 47060838
5-bromo-N-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 75467426
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
5-bromo-N-[2-[3-hydroxypropyl(propan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 61039695
5-bromo-N-[2-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 134063038

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 55707431) is 5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide is CN(CCCc1ccccc1)C(=O)CNC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is PAIGBCYJLWENJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-20(11-5-8-13-6-3-2-4-7-13)16(21)12-19-17(22)14-9-10-15(18)23-14/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,19,22).
What are the key properties of 5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[methyl(3-phenylpropyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 55707431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).