N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide

C13H16ClFN2O — CID 103774793

IUPACN-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C13H16ClFN2O/c1-9-2-4-17(5-3-9)13(18)16-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyXFGVSGPRHZKVAN-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.74
Rot. Bonds1

About N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide

N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 103774793) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID103774793
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC NameN-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C13H16ClFN2O/c1-9-2-4-17(5-3-9)13(18)16-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyXFGVSGPRHZKVAN-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
N-(3-chloro-5-fluorophenyl)-4-pyrazol-1-ylpiperidine-1-carboxamide
CID 84588159
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
N-(3,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 47336395
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 107368637
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366148
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide (CID 103774793) is N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2cc(F)cc(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is XFGVSGPRHZKVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c1-9-2-4-17(5-3-9)13(18)16-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide?
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 103774793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).