4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide

C12H13ClF2N2O — CID 82771489

IUPAC4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H13ClF2N2O/c13-9-5-10(14)8(4-11(9)15)12(18)17-7-2-1-3-16-6-7/h4-5,7,16H,1-3,6H2,(H,17,18)
InChIKeyXLJBVJWMXSCJAV-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.10
Rot. Bonds2

About 4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide

4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide (PubChem CID 82771489) has the molecular formula C12H13ClF2N2O and a molecular weight of 274.70 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
PubChem CID82771489
Molecular FormulaC12H13ClF2N2O
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Name4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H13ClF2N2O/c13-9-5-10(14)8(4-11(9)15)12(18)17-7-2-1-3-16-6-7/h4-5,7,16H,1-3,6H2,(H,17,18)
InChIKeyXLJBVJWMXSCJAV-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

4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 89192588
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide
CID 119424734
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429053
2,5-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689600
2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
CID 119427288
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
2,4-difluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449965
4-bromo-2,6-difluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866610
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide (CID 82771489) is 4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide is O=C(NC1CCCNC1)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide?
The InChIKey is XLJBVJWMXSCJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2O/c13-9-5-10(14)8(4-11(9)15)12(18)17-7-2-1-3-16-6-7/h4-5,7,16H,1-3,6H2,(H,17,18).
What are the key properties of 4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide?
4-chloro-2,5-difluoro-N-piperidin-3-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 4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 82771489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).