N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide

C16H12BrNO2 — CID 114310991

IUPACN-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
SMILESO=C(Nc1ccc(CBr)cc1)c1coc2ccccc12
InChIInChI=1S/C16H12BrNO2/c17-9-11-5-7-12(8-6-11)18-16(19)14-10-20-15-4-2-1-3-13(14)15/h1-8,10H,9H2,(H,18,19)
InChIKeyZYUXKFAIODUOKC-UHFFFAOYSA-N
MW330.18 g/mol
LogP4.58
Rot. Bonds3

About N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide

N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 114310991) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
PubChem CID114310991
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC NameN-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
SMILESO=C(Nc1ccc(CBr)cc1)c1coc2ccccc12
InChIInChI=1S/C16H12BrNO2/c17-9-11-5-7-12(8-6-11)18-16(19)14-10-20-15-4-2-1-3-13(14)15/h1-8,10H,9H2,(H,18,19)
InChIKeyZYUXKFAIODUOKC-UHFFFAOYSA-N
XLogP4.58
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 54.58
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

N-[[4-(bromomethyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 107233737
N-pyridin-4-yl-1-benzofuran-3-carboxamide
CID 6492144
N-[2-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114309814
N-(9,10-dioxoanthracen-2-yl)-1-benzofuran-3-carboxamide
CID 2892917
4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide
CID 155566561
5-(1-benzofuran-3-carbonylamino)pyridine-2-carboxamide
CID 75390658
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide
CID 115364391
N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide
CID 86946761
ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
CID 2332762
N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114315650
N',N'-dimethyl-1-benzofuran-3-carbohydrazide
CID 116848024

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide (CID 114310991) is N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide is O=C(Nc1ccc(CBr)cc1)c1coc2ccccc12.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is ZYUXKFAIODUOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c17-9-11-5-7-12(8-6-11)18-16(19)14-10-20-15-4-2-1-3-13(14)15/h1-8,10H,9H2,(H,18,19).
What are the key properties of N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide?
N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 330.18 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 114310991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).