N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C16H16N2O2 — CID 62198465

IUPACN-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNCc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H16N2O2/c17-10-11-1-4-14(5-2-11)18-16(19)13-3-6-15-12(9-13)7-8-20-15/h1-6,9H,7-8,10,17H2,(H,18,19)
InChIKeyVQFFMMYWKUGHTJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.33
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 62198465) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID62198465
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESNCc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C16H16N2O2/c17-10-11-1-4-14(5-2-11)18-16(19)13-3-6-15-12(9-13)7-8-20-15/h1-6,9H,7-8,10,17H2,(H,18,19)
InChIKeyVQFFMMYWKUGHTJ-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 31862131
N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114310163
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55663526
4-(bromomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)benzamide
CID 102851182
butyl 4-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 46586124
N-[(E)-4-aminobut-2-enyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113414856
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 78863229
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 62198465) is N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is NCc1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is VQFFMMYWKUGHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-10-11-1-4-14(5-2-11)18-16(19)13-3-6-15-12(9-13)7-8-20-15/h1-6,9H,7-8,10,17H2,(H,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 62198465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).