N-(2-chloropropyl)-1-benzofuran-2-carboxamide

C12H12ClNO2 — CID 114296217

IUPACN-(2-chloropropyl)-1-benzofuran-2-carboxamide
SMILESCC(Cl)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H12ClNO2/c1-8(13)7-14-12(15)11-6-9-4-2-3-5-10(9)16-11/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyGKGKFHNHYZJOEJ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.79
Rot. Bonds3

About N-(2-chloropropyl)-1-benzofuran-2-carboxamide

N-(2-chloropropyl)-1-benzofuran-2-carboxamide (PubChem CID 114296217) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is N-(2-chloropropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-1-benzofuran-2-carboxamide
PubChem CID114296217
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC NameN-(2-chloropropyl)-1-benzofuran-2-carboxamide
SMILESCC(Cl)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C12H12ClNO2/c1-8(13)7-14-12(15)11-6-9-4-2-3-5-10(9)16-11/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyGKGKFHNHYZJOEJ-UHFFFAOYSA-N
XLogP2.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.79
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-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-chloropropyl)-1-benzofuran-2-carboxamide (CID 114296217) is N-(2-chloropropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-1-benzofuran-2-carboxamide is CC(Cl)CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-chloropropyl)-1-benzofuran-2-carboxamide?
The InChIKey is GKGKFHNHYZJOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-8(13)7-14-12(15)11-6-9-4-2-3-5-10(9)16-11/h2-6,8H,7H2,1H3,(H,14,15).
What are the key properties of N-(2-chloropropyl)-1-benzofuran-2-carboxamide?
N-(2-chloropropyl)-1-benzofuran-2-carboxamide has a molecular weight of 237.69 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 114296217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).