5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide

C16H22ClNO3 — CID 43347022

IUPAC5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
SMILESCCOc1cc2c(cc1NC(=O)CCCCCl)OC(C)C2
InChIInChI=1S/C16H22ClNO3/c1-3-20-15-9-12-8-11(2)21-14(12)10-13(15)18-16(19)6-4-5-7-17/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyNEWOCHMQYOEEHK-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.76
Rot. Bonds7

About 5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide

5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide (PubChem CID 43347022) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
PubChem CID43347022
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
SMILESCCOc1cc2c(cc1NC(=O)CCCCCl)OC(C)C2
InChIInChI=1S/C16H22ClNO3/c1-3-20-15-9-12-8-11(2)21-14(12)10-13(15)18-16(19)6-4-5-7-17/h9-11H,3-8H2,1-2H3,(H,18,19)
InChIKeyNEWOCHMQYOEEHK-UHFFFAOYSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide 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

3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoylamino]propanoic acid
CID 122075038
3-(2-aminophenyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide;hydrochloride
CID 120608429
N-[3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 42896149
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55461951
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide
CID 79203858
(2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide
CID 79011910
N-[3-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-3-oxopropyl]-4-nitrobenzamide
CID 34166502
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)propanamide
CID 42923385
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119697410

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide?
The IUPAC name of 5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide (CID 43347022) is 5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide is CCOc1cc2c(cc1NC(=O)CCCCCl)OC(C)C2.
What is the InChIKey of 5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide?
The InChIKey is NEWOCHMQYOEEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-3-20-15-9-12-8-11(2)21-14(12)10-13(15)18-16(19)6-4-5-7-17/h9-11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide?
5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide has a molecular weight of 311.81 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide is sourced from PubChem (CID 43347022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).