2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide

C17H17ClN2O3 — CID 46420508

IUPAC2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O3/c18-14-5-2-1-4-13(14)16(21)19-12-7-9-20(10-8-12)17(22)15-6-3-11-23-15/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeySXBKHWSZBSHBLI-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.97
Rot. Bonds3

About 2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide

2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 46420508) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID46420508
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O3/c18-14-5-2-1-4-13(14)16(21)19-12-7-9-20(10-8-12)17(22)15-6-3-11-23-15/h1-6,11-12H,7-10H2,(H,19,21)
InChIKeySXBKHWSZBSHBLI-UHFFFAOYSA-N
XLogP2.97
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenoxybenzamide
CID 46585539
4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 78836748
3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 167769135
3-(cyclopropanecarbonylamino)-N-[1-(furan-2-carbonyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 134000446
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-hydroxy-5-methylbenzamide
CID 134000252
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18149413
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide (CID 46420508) is 2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2ccco2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is SXBKHWSZBSHBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-14-5-2-1-4-13(14)16(21)19-12-7-9-20(10-8-12)17(22)15-6-3-11-23-15/h1-6,11-12H,7-10H2,(H,19,21).
What are the key properties of 2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide?
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 46420508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).