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

C12H13ClF2N2O — CID 119388800

IUPAC2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C12H13ClF2N2O/c13-9-6-11(15)10(14)5-8(9)12(18)17-7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,18)
InChIKeyCYTHJECTIRXGKC-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.10
Rot. Bonds2

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

2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide (PubChem CID 119388800) has the molecular formula C12H13ClF2N2O and a molecular weight of 274.70 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
PubChem CID119388800
Molecular FormulaC12H13ClF2N2O
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Name2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
SMILESO=C(NC1CCNCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C12H13ClF2N2O/c13-9-6-11(15)10(14)5-8(9)12(18)17-7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,18)
InChIKeyCYTHJECTIRXGKC-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
N-(azepan-4-yl)-2,4-dichlorobenzamide
CID 105058883
4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 82771489
2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 17173512
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266
4-chloro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 43345705
2-chloro-N-(3,3-dimethylcyclopentyl)-4,5-difluorobenzamide
CID 115880901
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
N-(azepan-4-yl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 107172249
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide (CID 119388800) is 2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide is O=C(NC1CCNCC1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide?
The InChIKey is CYTHJECTIRXGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2O/c13-9-6-11(15)10(14)5-8(9)12(18)17-7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,18).
What are the key properties of 2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide?
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide has a molecular weight of 274.70 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119388800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).