N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide

C16H13BrN2O2 — CID 103752003

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H13BrN2O2/c1-10(14-8-11-4-2-3-5-13(11)21-14)19-16(20)12-6-7-18-15(17)9-12/h2-10H,1H3,(H,19,20)
InChIKeyMQFMUDOLCLJOEP-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.08
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide (PubChem CID 103752003) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
PubChem CID103752003
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H13BrN2O2/c1-10(14-8-11-4-2-3-5-13(11)21-14)19-16(20)12-6-7-18-15(17)9-12/h2-10H,1H3,(H,19,20)
InChIKeyMQFMUDOLCLJOEP-UHFFFAOYSA-N
XLogP4.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
CID 39966545
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94001499
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 95318825
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]pyrazine-2-carboxamide
CID 26007494
2-bromo-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 103754299
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide
CID 104741318
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
2-bromo-N-[1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 103753873

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide (CID 103752003) is N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide is CC(NC(=O)c1ccnc(Br)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide?
The InChIKey is MQFMUDOLCLJOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-10(14-8-11-4-2-3-5-13(11)21-14)19-16(20)12-6-7-18-15(17)9-12/h2-10H,1H3,(H,19,20).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide is sourced from PubChem (CID 103752003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).