3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide

C13H16ClFN2O — CID 114696417

IUPAC3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide
SMILESCC1(NC(=O)c2cccc(Cl)c2F)CCNCC1
InChIInChI=1S/C13H16ClFN2O/c1-13(5-7-16-8-6-13)17-12(18)9-3-2-4-10(14)11(9)15/h2-4,16H,5-8H2,1H3,(H,17,18)
InChIKeyAASXCKCJRZHNSN-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.35
Rot. Bonds2

About 3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide

3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide (PubChem CID 114696417) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide
PubChem CID114696417
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide
SMILESCC1(NC(=O)c2cccc(Cl)c2F)CCNCC1
InChIInChI=1S/C13H16ClFN2O/c1-13(5-7-16-8-6-13)17-12(18)9-3-2-4-10(14)11(9)15/h2-4,16H,5-8H2,1H3,(H,17,18)
InChIKeyAASXCKCJRZHNSN-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422948
1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 81266250
2,4-dichloro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567340
2-hydroxy-3-methoxy-N-(4-methylpiperidin-4-yl)benzamide
CID 114696306
2,4-difluoro-N-(4-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120567147
N-(4-methylpiperidin-4-yl)quinoline-5-carboxamide
CID 114696345
3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide
CID 114696153
3-chloro-2-fluoro-N-[3-[1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
CID 146198119
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
3-chloro-N-(1-methylcyclopropyl)-2-nitrobenzamide
CID 115681576
3-chloro-N-[2-[(3-chloro-2-fluorobenzoyl)amino]cyclopentyl]-2-fluorobenzamide
CID 154754631
N-(4-methylazepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 69470702

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide (CID 114696417) is 3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide is CC1(NC(=O)c2cccc(Cl)c2F)CCNCC1.
What is the InChIKey of 3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide?
The InChIKey is AASXCKCJRZHNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-13(5-7-16-8-6-13)17-12(18)9-3-2-4-10(14)11(9)15/h2-4,16H,5-8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide?
3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide has a molecular weight of 270.73 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(4-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 114696417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).