4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide

C17H19Cl2N3O — CID 18121095

IUPAC4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C17H19Cl2N3O/c18-13-3-1-12(2-4-13)11-22-7-5-15(6-8-22)21-17(23)16-9-14(19)10-20-16/h1-4,9-10,15,20H,5-8,11H2,(H,21,23)
InChIKeyMFJOWDVVPWIQOO-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.72
Rot. Bonds4

About 4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide

4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 18121095) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID18121095
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C17H19Cl2N3O/c18-13-3-1-12(2-4-13)11-22-7-5-15(6-8-22)21-17(23)16-9-14(19)10-20-16/h1-4,9-10,15,20H,5-8,11H2,(H,21,23)
InChIKeyMFJOWDVVPWIQOO-UHFFFAOYSA-N
XLogP3.72
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-(1-benzylpiperidin-4-yl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 127254911
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide
CID 46587440
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 8590020
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-nitrobenzamide
CID 8590047

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide (CID 18121095) is 4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is MFJOWDVVPWIQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c18-13-3-1-12(2-4-13)11-22-7-5-15(6-8-22)21-17(23)16-9-14(19)10-20-16/h1-4,9-10,15,20H,5-8,11H2,(H,21,23).
What are the key properties of 4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18121095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).