4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide

C16H22ClFN2O — CID 94119720

IUPAC4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1CCCN(CCCNC(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C16H22ClFN2O/c1-12-4-2-8-20(11-12)9-3-7-19-16(21)14-6-5-13(17)10-15(14)18/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyOWWRFKNVZBJSQR-LBPRGKRZSA-N
MW312.82 g/mol
LogP3.33
Rot. Bonds5

About 4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide

4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide (PubChem CID 94119720) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
PubChem CID94119720
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1CCCN(CCCNC(=O)c2ccc(Cl)cc2F)C1
InChIInChI=1S/C16H22ClFN2O/c1-12-4-2-8-20(11-12)9-3-7-19-16(21)14-6-5-13(17)10-15(14)18/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyOWWRFKNVZBJSQR-LBPRGKRZSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-2-fluorobenzamide
CID 51947867
4-chloro-2-fluoro-N-[2-[(3R)-3-(methoxymethyl)piperidin-1-yl]ethyl]benzamide
CID 124738268
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 53278155
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
1-(2,5-dichlorobenzoyl)-N-[3-(3-methylpiperidin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 55721754
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
5-(cyclopropylsulfamoyl)-2-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 51948398
2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 61111407
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 51192571
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide (CID 94119720) is 4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide is C[C@H]1CCCN(CCCNC(=O)c2ccc(Cl)cc2F)C1.
What is the InChIKey of 4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide?
The InChIKey is OWWRFKNVZBJSQR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-12-4-2-8-20(11-12)9-3-7-19-16(21)14-6-5-13(17)10-15(14)18/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide?
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide has a molecular weight of 312.82 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 94119720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).