5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide

C13H16ClNO2 — CID 29413921

IUPAC5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Cl)o1
InChIInChI=1S/C13H16ClNO2/c14-12-7-6-11(17-12)13(16)15-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,15,16)
InChIKeyABUHSWRISAUZBM-UHFFFAOYSA-N
MW253.73 g/mol
LogP3.55
Rot. Bonds4

About 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide

5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide (PubChem CID 29413921) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
PubChem CID29413921
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ccc(Cl)o1
InChIInChI=1S/C13H16ClNO2/c14-12-7-6-11(17-12)13(16)15-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,15,16)
InChIKeyABUHSWRISAUZBM-UHFFFAOYSA-N
XLogP3.55
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
5-[(2-chlorophenyl)sulfinylmethyl]-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 22554607
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 54903867
2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
2-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122175421
5-bromo-N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18286511

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide (CID 29413921) is 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide is O=C(NCCC1=CCCCC1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is ABUHSWRISAUZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-7-6-11(17-12)13(16)15-9-8-10-4-2-1-3-5-10/h4,6-7H,1-3,5,8-9H2,(H,15,16).
What are the key properties of 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide?
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 29413921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).