N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide

C13H12BrNO2 — CID 114315425

IUPACN-[2-(1-bromoethyl)phenyl]furan-3-carboxamide
SMILESCC(Br)c1ccccc1NC(=O)c1ccoc1
InChIInChI=1S/C13H12BrNO2/c1-9(14)11-4-2-3-5-12(11)15-13(16)10-6-7-17-8-10/h2-9H,1H3,(H,15,16)
InChIKeyLXNUDFRXFMXEKA-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.99
Rot. Bonds3

About N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide

N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide (PubChem CID 114315425) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]furan-3-carboxamide
PubChem CID114315425
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC NameN-[2-(1-bromoethyl)phenyl]furan-3-carboxamide
SMILESCC(Br)c1ccccc1NC(=O)c1ccoc1
InChIInChI=1S/C13H12BrNO2/c1-9(14)11-4-2-3-5-12(11)15-13(16)10-6-7-17-8-10/h2-9H,1H3,(H,15,16)
InChIKeyLXNUDFRXFMXEKA-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
CID 114315538
N-(2-methoxyphenyl)furan-3-carboxamide
CID 17437625
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
3-bromo-N-[2-(1-bromoethyl)phenyl]-4-methylbenzamide
CID 114315561
N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114315591
N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114315650
N-[2-(1-bromoethyl)phenyl]-2,4,6-trimethylbenzamide
CID 114315452
N-[2-(1-bromoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107975155
N-[2-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 34751154
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-[2-(1-bromoethyl)phenyl]-2,2-dicyclopropylacetamide
CID 112745152

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide (CID 114315425) is N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide is CC(Br)c1ccccc1NC(=O)c1ccoc1.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide?
The InChIKey is LXNUDFRXFMXEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-9(14)11-4-2-3-5-12(11)15-13(16)10-6-7-17-8-10/h2-9H,1H3,(H,15,16).
What are the key properties of N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide?
N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 114315425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).