N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide

C16H13BrN2O2 — CID 116650020

IUPACN-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
SMILESNc1ccc(CNC(=O)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C16H13BrN2O2/c17-13-3-1-2-11-8-14(21-15(11)13)16(20)19-9-10-4-6-12(18)7-5-10/h1-8H,9,18H2,(H,19,20)
InChIKeySFSDZZQJJPPVLO-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.71
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide

N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide (PubChem CID 116650020) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
PubChem CID116650020
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC NameN-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
SMILESNc1ccc(CNC(=O)c2cc3cccc(Br)c3o2)cc1
InChIInChI=1S/C16H13BrN2O2/c17-13-3-1-2-11-8-14(21-15(11)13)16(20)19-9-10-4-6-12(18)7-5-10/h1-8H,9,18H2,(H,19,20)
InChIKeySFSDZZQJJPPVLO-UHFFFAOYSA-N
XLogP3.71
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 46460415
7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39709859
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832339
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 38930964
2-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79457540
7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 82993657
7-bromo-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-benzofuran-2-carboxamide
CID 55692957

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide (CID 116650020) is N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide is Nc1ccc(CNC(=O)c2cc3cccc(Br)c3o2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide?
The InChIKey is SFSDZZQJJPPVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-13-3-1-2-11-8-14(21-15(11)13)16(20)19-9-10-4-6-12(18)7-5-10/h1-8H,9,18H2,(H,19,20).
What are the key properties of N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide?
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide is sourced from PubChem (CID 116650020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).