2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide

C19H18Cl2F2N2O — CID 51239211

IUPAC2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H18Cl2F2N2O/c20-13-3-1-12(2-4-13)11-25-7-5-14(6-8-25)24-19(26)15-9-17(22)18(23)10-16(15)21/h1-4,9-10,14H,5-8,11H2,(H,24,26)
InChIKeyWYXHCDVYLTZYFX-UHFFFAOYSA-N
MW399.27 g/mol
LogP4.67
Rot. Bonds4

About 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide

2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide (PubChem CID 51239211) has the molecular formula C19H18Cl2F2N2O and a molecular weight of 399.27 g/mol. Its IUPAC name is 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
PubChem CID51239211
Molecular FormulaC19H18Cl2F2N2O
Molecular Weight399.27 g/mol
Exact Mass398.08
IUPAC Name2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H18Cl2F2N2O/c20-13-3-1-12(2-4-13)11-25-7-5-14(6-8-25)24-19(26)15-9-17(22)18(23)10-16(15)21/h1-4,9-10,14H,5-8,11H2,(H,24,26)
InChIKeyWYXHCDVYLTZYFX-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-nitrobenzamide
CID 8590047
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 17173512
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 18121095
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxochromene-3-carboxamide
CID 18121067
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide (CID 51239211) is 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide?
The InChIKey is WYXHCDVYLTZYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F2N2O/c20-13-3-1-12(2-4-13)11-25-7-5-14(6-8-25)24-19(26)15-9-17(22)18(23)10-16(15)21/h1-4,9-10,14H,5-8,11H2,(H,24,26).
What are the key properties of 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide?
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide has a molecular weight of 399.27 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide is sourced from PubChem (CID 51239211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).