N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C15H20ClNO2 — CID 114149349

IUPACN-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(CCCl)CNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H20ClNO2/c1-15(2,7-8-16)10-17-14(18)13-9-11-5-3-4-6-12(11)19-13/h3-6,13H,7-10H2,1-2H3,(H,17,18)
InChIKeyRQLYTZYYUZKHOQ-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.76
Rot. Bonds5

About N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 114149349) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID114149349
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(CCCl)CNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H20ClNO2/c1-15(2,7-8-16)10-17-14(18)13-9-11-5-3-4-6-12(11)19-13/h3-6,13H,7-10H2,1-2H3,(H,17,18)
InChIKeyRQLYTZYYUZKHOQ-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2,2-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106141090
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60568818
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-(5-amino-2,2-dimethylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 106140339
(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37007441

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 114149349) is N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)(CCCl)CNC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RQLYTZYYUZKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-15(2,7-8-16)10-17-14(18)13-9-11-5-3-4-6-12(11)19-13/h3-6,13H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 281.78 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 114149349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).