N-benzyl-5-bromo-3-methylfuran-2-carboxamide

C13H12BrNO2 — CID 47242031

IUPACN-benzyl-5-bromo-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NCc1ccccc1
InChIInChI=1S/C13H12BrNO2/c1-9-7-11(14)17-12(9)13(16)15-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyRIUZAWKIAJCXTF-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.28
Rot. Bonds3

About N-benzyl-5-bromo-3-methylfuran-2-carboxamide

N-benzyl-5-bromo-3-methylfuran-2-carboxamide (PubChem CID 47242031) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is N-benzyl-5-bromo-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-3-methylfuran-2-carboxamide
PubChem CID47242031
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC NameN-benzyl-5-bromo-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NCc1ccccc1
InChIInChI=1S/C13H12BrNO2/c1-9-7-11(14)17-12(9)13(16)15-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyRIUZAWKIAJCXTF-UHFFFAOYSA-N
XLogP3.28
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methylfuran-2-carboxamide
CID 55779404
5-[(3-dimethylphosphorylphenyl)methylcarbamoyl]-4-methylfuran-2-carboxylic acid
CID 166289865
5-bromo-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methylfuran-2-carboxamide
CID 86968268
2-[(5-bromo-3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 86787888
4-[(5-bromo-3-methylfuran-2-carbonyl)amino]-4-phenylbutanoic acid
CID 119201012
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide
CID 110922851
(2R)-2-[(5-bromo-3-methylfuran-2-carbonyl)amino]propanoic acid
CID 103791126
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide
CID 75403675
1-benzyl-3-[(5-bromofuran-2-yl)methyl]urea
CID 131219763
N-benzyl-1,4-dimethylimidazole-2-carboxamide
CID 145376007

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-3-methylfuran-2-carboxamide?
The IUPAC name of N-benzyl-5-bromo-3-methylfuran-2-carboxamide (CID 47242031) is N-benzyl-5-bromo-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-bromo-3-methylfuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-bromo-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-bromo-3-methylfuran-2-carboxamide?
The InChIKey is RIUZAWKIAJCXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-9-7-11(14)17-12(9)13(16)15-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of N-benzyl-5-bromo-3-methylfuran-2-carboxamide?
N-benzyl-5-bromo-3-methylfuran-2-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-3-methylfuran-2-carboxamide is sourced from PubChem (CID 47242031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).