N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide

C13H14ClNO3 — CID 113271992

IUPACN-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
SMILESCOCC(Cl)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H14ClNO3/c1-17-8-10(14)7-15-13(16)12-6-9-4-2-3-5-11(9)18-12/h2-6,10H,7-8H2,1H3,(H,15,16)
InChIKeyIDALARPGXQLQRF-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.42
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide

N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide (PubChem CID 113271992) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
PubChem CID113271992
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC NameN-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
SMILESCOCC(Cl)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H14ClNO3/c1-17-8-10(14)7-15-13(16)12-6-9-4-2-3-5-11(9)18-12/h2-6,10H,7-8H2,1H3,(H,15,16)
InChIKeyIDALARPGXQLQRF-UHFFFAOYSA-N
XLogP2.42
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 66089049
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 114298680
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide
CID 121180105
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
N-(2-chloro-3-methoxypropyl)quinoline-2-carboxamide
CID 114298870
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide (CID 113271992) is N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide is COCC(Cl)CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide?
The InChIKey is IDALARPGXQLQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-17-8-10(14)7-15-13(16)12-6-9-4-2-3-5-11(9)18-12/h2-6,10H,7-8H2,1H3,(H,15,16).
What are the key properties of N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide?
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide has a molecular weight of 267.71 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 113271992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).