N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide

C14H16BrNO2 — CID 80666605

IUPACN-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)N(CCBr)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H16BrNO2/c1-10(2)16(8-7-15)14(17)13-9-11-5-3-4-6-12(11)18-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyBQNYKWAVBUECEJ-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.68
Rot. Bonds4

About N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide

N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 80666605) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID80666605
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC NameN-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)N(CCBr)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H16BrNO2/c1-10(2)16(8-7-15)14(17)13-9-11-5-3-4-6-12(11)18-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyBQNYKWAVBUECEJ-UHFFFAOYSA-N
XLogP3.68
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 54916950
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide
CID 63396036
5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
CID 61092813
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8698129
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
1-(1-benzofuran-2-yl)-2-propan-2-ylsulfonylethanone
CID 64636555
4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid
CID 43235400
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 76987759
1-(1-benzofuran-2-yl)ethanone
CID 15435

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide (CID 80666605) is N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide is CC(C)N(CCBr)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is BQNYKWAVBUECEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-10(2)16(8-7-15)14(17)13-9-11-5-3-4-6-12(11)18-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide?
N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 310.19 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 80666605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).