N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide

C16H20ClNO2 — CID 63396036

IUPACN-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide
SMILESCCC(CC)N(CCCl)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H20ClNO2/c1-3-13(4-2)18(10-9-17)16(19)15-11-12-7-5-6-8-14(12)20-15/h5-8,11,13H,3-4,9-10H2,1-2H3
InChIKeyLSQNIXRUUAEDHG-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.30
Rot. Bonds6

About N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide

N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide (PubChem CID 63396036) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide
PubChem CID63396036
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide
SMILESCCC(CC)N(CCCl)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H20ClNO2/c1-3-13(4-2)18(10-9-17)16(19)15-11-12-7-5-6-8-14(12)20-15/h5-8,11,13H,3-4,9-10H2,1-2H3
InChIKeyLSQNIXRUUAEDHG-UHFFFAOYSA-N
XLogP4.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 80666605
N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 54916950
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
N-cyclohexyl-N-ethyl-1-benzofuran-2-carboxamide
CID 60592186
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 2552428
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
3-chloro-N-(2-chloroethyl)-5-methyl-N-pentan-3-ylbenzamide
CID 81325136
4-[1-benzofuran-2-carbonyl(methyl)amino]butanoic acid
CID 43235400
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 76987759
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide (CID 63396036) is N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide is CCC(CC)N(CCCl)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide?
The InChIKey is LSQNIXRUUAEDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-3-13(4-2)18(10-9-17)16(19)15-11-12-7-5-6-8-14(12)20-15/h5-8,11,13H,3-4,9-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide?
N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide has a molecular weight of 293.79 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-pentan-3-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 63396036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).