2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide

C12H16ClNO3 — CID 106686927

IUPAC2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccoc1Cl
InChIInChI=1S/C12H16ClNO3/c13-10-9(4-7-17-10)11(15)14-8-12(16)5-2-1-3-6-12/h4,7,16H,1-3,5-6,8H2,(H,14,15)
InChIKeyXJBLCQACJQSJOZ-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.36
Rot. Bonds3

About 2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide

2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide (PubChem CID 106686927) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
PubChem CID106686927
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1ccoc1Cl
InChIInChI=1S/C12H16ClNO3/c13-10-9(4-7-17-10)11(15)14-8-12(16)5-2-1-3-6-12/h4,7,16H,1-3,5-6,8H2,(H,14,15)
InChIKeyXJBLCQACJQSJOZ-UHFFFAOYSA-N
XLogP2.36
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-[[1-(chloromethyl)cyclohexyl]methyl]furan-3-carboxamide
CID 106690116
2-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-3-carboxamide
CID 106686929
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106687086
N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide
CID 111444909
2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide
CID 106854397
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-2-chlorofuran-3-carboxamide
CID 106690207
2-chloro-N-[(1-methoxycyclobutyl)methyl]furan-3-carboxamide
CID 106812376
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64866996
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2-bromo-5-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103712029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide (CID 106686927) is 2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide is O=C(NCC1(O)CCCCC1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide?
The InChIKey is XJBLCQACJQSJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c13-10-9(4-7-17-10)11(15)14-8-12(16)5-2-1-3-6-12/h4,7,16H,1-3,5-6,8H2,(H,14,15).
What are the key properties of 2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide?
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide has a molecular weight of 257.72 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106686927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).