2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide

C13H15ClF2N2O — CID 119443353

IUPAC2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1cc(F)c(F)cc1Cl)C1CCNCC1
InChIInChI=1S/C13H15ClF2N2O/c1-18(8-2-4-17-5-3-8)13(19)9-6-11(15)12(16)7-10(9)14/h6-8,17H,2-5H2,1H3
InChIKeyXQMJYZJPTRHJGD-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.44
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide

2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide (PubChem CID 119443353) has the molecular formula C13H15ClF2N2O and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
PubChem CID119443353
Molecular FormulaC13H15ClF2N2O
Molecular Weight288.73 g/mol
Exact Mass288.08
IUPAC Name2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
SMILESCN(C(=O)c1cc(F)c(F)cc1Cl)C1CCNCC1
InChIInChI=1S/C13H15ClF2N2O/c1-18(8-2-4-17-5-3-8)13(19)9-6-11(15)12(16)7-10(9)14/h6-8,17H,2-5H2,1H3
InChIKeyXQMJYZJPTRHJGD-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.44
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

2,4-dichloro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444290
2,4-dichloro-N-methyl-5-methylsulfonyl-N-piperidin-4-ylbenzamide
CID 154759790
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
2-fluoro-N,4-dimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443710
2-chloro-N-methyl-5-nitro-N-piperidin-4-ylbenzamide
CID 43602219
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 65100676
2,4-dichloro-N-methyl-5-methylsulfanyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551765
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
2-chloro-5-fluoro-N,4-dimethyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 117045024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide (CID 119443353) is 2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide is CN(C(=O)c1cc(F)c(F)cc1Cl)C1CCNCC1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide?
The InChIKey is XQMJYZJPTRHJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2N2O/c1-18(8-2-4-17-5-3-8)13(19)9-6-11(15)12(16)7-10(9)14/h6-8,17H,2-5H2,1H3.
What are the key properties of 2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide?
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide has a molecular weight of 288.73 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119443353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).