N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide

C12H16ClNO2 — CID 114303305

IUPACN-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide
SMILESO=C(NC1(CCl)CCCCC1)c1ccoc1
InChIInChI=1S/C12H16ClNO2/c13-9-12(5-2-1-3-6-12)14-11(15)10-4-7-16-8-10/h4,7-8H,1-3,5-6,9H2,(H,14,15)
InChIKeyYBSIQLISAQBNFT-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.95
Rot. Bonds3

About N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide

N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide (PubChem CID 114303305) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide
PubChem CID114303305
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide
SMILESO=C(NC1(CCl)CCCCC1)c1ccoc1
InChIInChI=1S/C12H16ClNO2/c13-9-12(5-2-1-3-6-12)14-11(15)10-4-7-16-8-10/h4,7-8H,1-3,5-6,9H2,(H,14,15)
InChIKeyYBSIQLISAQBNFT-UHFFFAOYSA-N
XLogP2.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.95
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

1-(furan-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151397
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
CID 107975022
N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 114758169
N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-carboxamide
CID 114303346
N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
CID 114300617
3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 107974996
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
CID 114300478
N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 113272407
2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 114300519
3-chloro-N-[1-(chloromethyl)cyclohexyl]-5-methylbenzamide
CID 114303388
N-[1-(chloromethyl)cyclohexyl]-2,6-dimethoxybenzamide
CID 114303510

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide?
The IUPAC name of N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide (CID 114303305) is N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide is O=C(NC1(CCl)CCCCC1)c1ccoc1.
What is the InChIKey of N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide?
The InChIKey is YBSIQLISAQBNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-9-12(5-2-1-3-6-12)14-11(15)10-4-7-16-8-10/h4,7-8H,1-3,5-6,9H2,(H,14,15).
What are the key properties of N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide?
N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.95, 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]furan-3-carboxamide is sourced from PubChem (CID 114303305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).