5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide

C12H16ClNO2 — CID 107413499

IUPAC5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide
SMILESCC1CCC(CNC(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C12H16ClNO2/c1-8-2-3-9(6-8)7-14-12(15)10-4-5-11(13)16-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyXNVZCVLQVVZWAE-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.10
Rot. Bonds3

About 5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide

5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide (PubChem CID 107413499) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide
PubChem CID107413499
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide
SMILESCC1CCC(CNC(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C12H16ClNO2/c1-8-2-3-9(6-8)7-14-12(15)10-4-5-11(13)16-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15)
InChIKeyXNVZCVLQVVZWAE-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide
CID 106133378
5-chloro-N-[2-(4-methylcyclohexyl)ethyl]furan-2-carboxamide
CID 106686875
5-chloro-N-(cyclohexylmethyl)furan-2-carboxamide
CID 35895984
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
5-chloro-N-[2-(4-methylpiperidin-1-yl)propyl]furan-2-carboxamide
CID 86853139
2-chloro-N-[(3-methylcyclopentyl)methyl]-5-sulfamoylbenzamide
CID 107415687
5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107412465
2-(4-carbamothioylphenyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413395
5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606885
3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107415196
4-(ethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107415191
4-bromo-N-[(3-methylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 107413497

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide (CID 107413499) is 5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide is CC1CCC(CNC(=O)c2ccc(Cl)o2)C1.
What is the InChIKey of 5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide?
The InChIKey is XNVZCVLQVVZWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8-2-3-9(6-8)7-14-12(15)10-4-5-11(13)16-10/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,15).
What are the key properties of 5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide?
5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methylcyclopentyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 107413499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).