N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C16H20ClNO2 — CID 114303404

IUPACN-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1(CCl)CCCCC1)C1Cc2ccccc2O1
InChIInChI=1S/C16H20ClNO2/c17-11-16(8-4-1-5-9-16)18-15(19)14-10-12-6-2-3-7-13(12)20-14/h2-3,6-7,14H,1,4-5,8-11H2,(H,18,19)
InChIKeyJLZXTGDMRCAGQQ-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.05
Rot. Bonds3

About N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 114303404) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID114303404
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1(CCl)CCCCC1)C1Cc2ccccc2O1
InChIInChI=1S/C16H20ClNO2/c17-11-16(8-4-1-5-9-16)18-15(19)14-10-12-6-2-3-7-13(12)20-14/h2-3,6-7,14H,1,4-5,8-11H2,(H,18,19)
InChIKeyJLZXTGDMRCAGQQ-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.05
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-[4-(chloromethyl)oxan-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106300784
N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63754394
N-[1-(aminomethyl)-4-methylcyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63767439
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
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106365967
N-[(1-phenylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42938379
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91762618
(2S)-N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124617051
2-[1-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]cyclobutyl]acetic acid
CID 120522109
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 114303404) is N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NC1(CCl)CCCCC1)C1Cc2ccccc2O1.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JLZXTGDMRCAGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-11-16(8-4-1-5-9-16)18-15(19)14-10-12-6-2-3-7-13(12)20-14/h2-3,6-7,14H,1,4-5,8-11H2,(H,18,19).
What are the key properties of N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 293.79 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 114303404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).