N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide

C15H16BrNO2 — CID 106852447

IUPACN-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccoc1Br
InChIInChI=1S/C15H16BrNO2/c1-11(2)17(10-12-6-4-3-5-7-12)15(18)13-8-9-19-14(13)16/h3-9,11H,10H2,1-2H3
InChIKeyYKMHUCVVTMEIIW-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.09
Rot. Bonds4

About N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide

N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide (PubChem CID 106852447) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide
PubChem CID106852447
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccoc1Br
InChIInChI=1S/C15H16BrNO2/c1-11(2)17(10-12-6-4-3-5-7-12)15(18)13-8-9-19-14(13)16/h3-9,11H,10H2,1-2H3
InChIKeyYKMHUCVVTMEIIW-UHFFFAOYSA-N
XLogP4.09
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate
CID 106853479
N-benzyl-2-methyl-N-propan-2-ylbenzamide
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N-benzyl-2-bromo-N-(2-methoxyethyl)furan-3-carboxamide
CID 106853333
N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
CID 107365685
N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide
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N-benzyl-N-propan-2-ylacetamide
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N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide
CID 30099721
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539
N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide?
The IUPAC name of N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide (CID 106852447) is N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccoc1Br.
What is the InChIKey of N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide?
The InChIKey is YKMHUCVVTMEIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-11(2)17(10-12-6-4-3-5-7-12)15(18)13-8-9-19-14(13)16/h3-9,11H,10H2,1-2H3.
What are the key properties of N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide?
N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 106852447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).