4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

C15H15Cl2N3O3 — CID 78836748

IUPAC4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C15H15Cl2N3O3/c16-10-8-11(19-13(10)17)14(21)18-9-3-5-20(6-4-9)15(22)12-2-1-7-23-12/h1-2,7-9,19H,3-6H2,(H,18,21)
InChIKeyPEWJBJCAJIXYCX-UHFFFAOYSA-N
MW356.21 g/mol
LogP2.95
Rot. Bonds3

About 4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 78836748) has the molecular formula C15H15Cl2N3O3 and a molecular weight of 356.21 g/mol. Its IUPAC name is 4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID78836748
Molecular FormulaC15H15Cl2N3O3
Molecular Weight356.21 g/mol
Exact Mass355.05
IUPAC Name4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C15H15Cl2N3O3/c16-10-8-11(19-13(10)17)14(21)18-9-3-5-20(6-4-9)15(22)12-2-1-7-23-12/h1-2,7-9,19H,3-6H2,(H,18,21)
InChIKeyPEWJBJCAJIXYCX-UHFFFAOYSA-N
XLogP2.95
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 167769135
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
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
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dinitrobenzamide
CID 134000280
5-fluoro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136514589
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18149413
N-[1-(furan-2-carbonyl)piperidin-4-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 134000227
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108550026

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (CID 78836748) is 4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is O=C(NC1CCN(C(=O)c2ccco2)CC1)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is PEWJBJCAJIXYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3/c16-10-8-11(19-13(10)17)14(21)18-9-3-5-20(6-4-9)15(22)12-2-1-7-23-12/h1-2,7-9,19H,3-6H2,(H,18,21).
What are the key properties of 4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 356.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 78836748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).