5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide

C14H10BrNO2 — CID 47242813

IUPAC5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide
SMILESC#Cc1cccc(NC(=O)c2oc(Br)cc2C)c1
InChIInChI=1S/C14H10BrNO2/c1-3-10-5-4-6-11(8-10)16-14(17)13-9(2)7-12(15)18-13/h1,4-8H,2H3,(H,16,17)
InChIKeyIBCGVUUCEWPSOQ-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.58
Rot. Bonds2

About 5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide

5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide (PubChem CID 47242813) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide
PubChem CID47242813
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide
SMILESC#Cc1cccc(NC(=O)c2oc(Br)cc2C)c1
InChIInChI=1S/C14H10BrNO2/c1-3-10-5-4-6-11(8-10)16-14(17)13-9(2)7-12(15)18-13/h1,4-8H,2H3,(H,16,17)
InChIKeyIBCGVUUCEWPSOQ-UHFFFAOYSA-N
XLogP3.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-ethynylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 36663983
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
5-bromo-N-(3-ethynylphenyl)thiophene-3-carboxamide
CID 39677708
N-(3-ethynylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47443678
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-3-methylfuran-2-carboxamide
CID 110922851
5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 87000879
N-(3-ethynylphenyl)-3-phenylfuran-2-carboxamide
CID 24676336
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469
4-bromo-2-chloro-N-(3-ethynylphenyl)benzamide
CID 47278272
N-(3-ethynylphenyl)-2,3-dihydroxybenzamide
CID 114343731
1-N,3-N-bis(3-ethynylphenyl)-5-[(3-ethynylphenyl)carbamoylamino]benzene-1,3-dicarboxamide
CID 59499518
4-ethyl-N-(3-ethynylphenyl)benzamide
CID 18168132

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide (CID 47242813) is 5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide is C#Cc1cccc(NC(=O)c2oc(Br)cc2C)c1.
What is the InChIKey of 5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide?
The InChIKey is IBCGVUUCEWPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c1-3-10-5-4-6-11(8-10)16-14(17)13-9(2)7-12(15)18-13/h1,4-8H,2H3,(H,16,17).
What are the key properties of 5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide?
5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide has a molecular weight of 304.14 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-ethynylphenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 47242813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).