N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C15H18ClNO2 — CID 114296800

IUPACN-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1CCC(Cl)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18ClNO2/c16-12-2-4-13(5-3-12)17-15(18)11-1-6-14-10(9-11)7-8-19-14/h1,6,9,12-13H,2-5,7-8H2,(H,17,18)
InChIKeyRQKJLOJYKDXRJA-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.90
Rot. Bonds2

About N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 114296800) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID114296800
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1CCC(Cl)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18ClNO2/c16-12-2-4-13(5-3-12)17-15(18)11-1-6-14-10(9-11)7-8-19-14/h1,6,9,12-13H,2-5,7-8H2,(H,17,18)
InChIKeyRQKJLOJYKDXRJA-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-(3-aminocyclopentyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 115272843
N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925196
N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 118788009
N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114311850
N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
CID 60608783
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 87020213
(E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide
CID 171527682
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 114296800) is N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NC1CCC(Cl)CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is RQKJLOJYKDXRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-12-2-4-13(5-3-12)17-15(18)11-1-6-14-10(9-11)7-8-19-14/h1,6,9,12-13H,2-5,7-8H2,(H,17,18).
What are the key properties of N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 114296800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).