3-chloro-N-cyclobutylfuran-2-carboxamide

C9H10ClNO2 — CID 131018891

IUPAC3-chloro-N-cyclobutylfuran-2-carboxamide
SMILESO=C(NC1CCC1)c1occc1Cl
InChIInChI=1S/C9H10ClNO2/c10-7-4-5-13-8(7)9(12)11-6-2-1-3-6/h4-6H,1-3H2,(H,11,12)
InChIKeyXABIYQIQAWUMDZ-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.22
Rot. Bonds2

About 3-chloro-N-cyclobutylfuran-2-carboxamide

3-chloro-N-cyclobutylfuran-2-carboxamide (PubChem CID 131018891) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 3-chloro-N-cyclobutylfuran-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-cyclobutylfuran-2-carboxamide
PubChem CID131018891
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name3-chloro-N-cyclobutylfuran-2-carboxamide
SMILESO=C(NC1CCC1)c1occc1Cl
InChIInChI=1S/C9H10ClNO2/c10-7-4-5-13-8(7)9(12)11-6-2-1-3-6/h4-6H,1-3H2,(H,11,12)
InChIKeyXABIYQIQAWUMDZ-UHFFFAOYSA-N
XLogP2.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(benzenesulfonylmethyl)-N-cyclooctylfuran-2-carboxamide
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2-amino-N-cyclopentylfuran-3-carboxamide
CID 117213301
2-chloro-N-cyclopentylbenzamide
CID 669043
5-bromo-2-chloro-N-cyclopentylbenzamide
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4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
N-(1-amino-2-methylpropan-2-yl)-3-chlorofuran-2-carboxamide
CID 110834006
N-cyclooctylfuran-2-carboxamide
CID 790432
2-chloro-N-(oxan-3-yl)furan-3-carboxamide
CID 130173637
2-chloro-N-(4-methylcyclohexyl)furan-3-carboxamide
CID 106685258

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclobutylfuran-2-carboxamide?
The IUPAC name of 3-chloro-N-cyclobutylfuran-2-carboxamide (CID 131018891) is 3-chloro-N-cyclobutylfuran-2-carboxamide.
What is the SMILES notation for 3-chloro-N-cyclobutylfuran-2-carboxamide?
The canonical SMILES for 3-chloro-N-cyclobutylfuran-2-carboxamide is O=C(NC1CCC1)c1occc1Cl.
What is the InChIKey of 3-chloro-N-cyclobutylfuran-2-carboxamide?
The InChIKey is XABIYQIQAWUMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-7-4-5-13-8(7)9(12)11-6-2-1-3-6/h4-6H,1-3H2,(H,11,12).
What are the key properties of 3-chloro-N-cyclobutylfuran-2-carboxamide?
3-chloro-N-cyclobutylfuran-2-carboxamide has a molecular weight of 199.64 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclobutylfuran-2-carboxamide is sourced from PubChem (CID 131018891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).