2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide

C12H16ClNO3 — CID 106687172

IUPAC2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide
SMILESO=C(NC1CCCCCC1O)c1ccoc1Cl
InChIInChI=1S/C12H16ClNO3/c13-11-8(6-7-17-11)12(16)14-9-4-2-1-3-5-10(9)15/h6-7,9-10,15H,1-5H2,(H,14,16)
InChIKeyPGFBUIQTMBOYFU-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.36
Rot. Bonds2

About 2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide

2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide (PubChem CID 106687172) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide
PubChem CID106687172
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide
SMILESO=C(NC1CCCCCC1O)c1ccoc1Cl
InChIInChI=1S/C12H16ClNO3/c13-11-8(6-7-17-11)12(16)14-9-4-2-1-3-5-10(9)15/h6-7,9-10,15H,1-5H2,(H,14,16)
InChIKeyPGFBUIQTMBOYFU-UHFFFAOYSA-N
XLogP2.36
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methylcyclohexyl)furan-3-carboxamide
CID 106685279
N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylfuran-3-carboxamide
CID 104927715
2-chloro-N-(2-methylsulfanylcyclohexyl)furan-3-carboxamide
CID 106812109
2-chloro-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 106687114
2-chloro-N-(2,4-dimethylcyclohexyl)furan-3-carboxamide
CID 106686861
2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258
2-chloro-N-(oxan-3-yl)furan-3-carboxamide
CID 130173637
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
N-(azetidin-3-yl)-2-chlorofuran-3-carboxamide
CID 106688544
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide (CID 106687172) is 2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide is O=C(NC1CCCCCC1O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide?
The InChIKey is PGFBUIQTMBOYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c13-11-8(6-7-17-11)12(16)14-9-4-2-1-3-5-10(9)15/h6-7,9-10,15H,1-5H2,(H,14,16).
What are the key properties of 2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide?
2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxycycloheptyl)furan-3-carboxamide is sourced from PubChem (CID 106687172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).