5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide

C16H24ClNO2 — CID 43701687

IUPAC5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CCCCCl
InChIInChI=1S/C16H24ClNO2/c1-11-8-12-13(18-15(19)6-4-5-7-17)9-16(2,3)10-14(12)20-11/h8,13H,4-7,9-10H2,1-3H3,(H,18,19)
InChIKeyGYAJGSAVLZFZQP-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.13
Rot. Bonds5

About 5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide

5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide (PubChem CID 43701687) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
PubChem CID43701687
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)CCCCCl
InChIInChI=1S/C16H24ClNO2/c1-11-8-12-13(18-15(19)6-4-5-7-17)9-16(2,3)10-14(12)20-11/h8,13H,4-7,9-10H2,1-3H3,(H,18,19)
InChIKeyGYAJGSAVLZFZQP-UHFFFAOYSA-N
XLogP4.13
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethylsulfanyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)propanamide
CID 47248732
5-amino-4-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 82013757
3-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 64683856
2-[2-oxo-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569405
2,2,2-trifluoro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 62491984
2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 51958779
2-(4-acetylphenoxy)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 55782492
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
CID 51958801
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
CID 51958804
1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide
CID 81179233
(E)-3-cyclopropyl-N-[(4R)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]but-2-enamide
CID 97456167
(2R)-2-methylsulfonyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
CID 94004654

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
The IUPAC name of 5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide (CID 43701687) is 5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
The InChIKey is GYAJGSAVLZFZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-11-8-12-13(18-15(19)6-4-5-7-17)9-16(2,3)10-14(12)20-11/h8,13H,4-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide?
5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide has a molecular weight of 297.83 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide is sourced from PubChem (CID 43701687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).