N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide

C14H16ClNO3 — CID 106155716

IUPACN-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide
SMILESCOCC(CCCl)NC(=O)c1coc2ccccc12
InChIInChI=1S/C14H16ClNO3/c1-18-8-10(6-7-15)16-14(17)12-9-19-13-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3,(H,16,17)
InChIKeyKJPNZGRGRWWNKD-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.81
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide

N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide (PubChem CID 106155716) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide
PubChem CID106155716
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide
SMILESCOCC(CCCl)NC(=O)c1coc2ccccc12
InChIInChI=1S/C14H16ClNO3/c1-18-8-10(6-7-15)16-14(17)12-9-19-13-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3,(H,16,17)
InChIKeyKJPNZGRGRWWNKD-UHFFFAOYSA-N
XLogP2.81
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.81
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-(4-chloro-1-methoxybutan-2-yl)benzamide
CID 106154813
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
N-(4-chloro-1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 106155771
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide
CID 106155756
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
N-(4-chloro-1-methoxybutan-2-yl)quinoline-2-carboxamide
CID 106155760
N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
CID 106155031
N-(4-chloro-1-methoxybutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 114151231
N-(1-amino-4,4-dimethylpentan-3-yl)-1-benzofuran-3-carboxamide
CID 106357075
N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide
CID 106155330
N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
CID 106157815

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide (CID 106155716) is N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide is COCC(CCCl)NC(=O)c1coc2ccccc12.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide?
The InChIKey is KJPNZGRGRWWNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-18-8-10(6-7-15)16-14(17)12-9-19-13-5-3-2-4-11(12)13/h2-5,9-10H,6-8H2,1H3,(H,16,17).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide?
N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 106155716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).