2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide

C14H17ClF2N2O — CID 17173608

IUPAC2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H17ClF2N2O/c15-11-9-13(17)12(16)8-10(11)14(20)18-4-7-19-5-2-1-3-6-19/h8-9H,1-7H2,(H,18,20)
InChIKeyWFGJLORYNUVSRT-UHFFFAOYSA-N
MW302.75 g/mol
LogP2.83
Rot. Bonds4

About 2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide

2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 17173608) has the molecular formula C14H17ClF2N2O and a molecular weight of 302.75 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID17173608
Molecular FormulaC14H17ClF2N2O
Molecular Weight302.75 g/mol
Exact Mass302.10
IUPAC Name2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H17ClF2N2O/c15-11-9-13(17)12(16)8-10(11)14(20)18-4-7-19-5-2-1-3-6-19/h8-9H,1-7H2,(H,18,20)
InChIKeyWFGJLORYNUVSRT-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 39985361
N-[2-(azepan-1-yl)ethyl]-2,5-dichloropyridine-4-carboxamide
CID 114918151
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4,5-difluorobenzamide
CID 46447092
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
N-[2-(azepan-1-yl)ethyl]-2-bromo-4-chlorobenzamide
CID 103763914
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 107184833
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
CID 119407529

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide (CID 17173608) is 2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is WFGJLORYNUVSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O/c15-11-9-13(17)12(16)8-10(11)14(20)18-4-7-19-5-2-1-3-6-19/h8-9H,1-7H2,(H,18,20).
What are the key properties of 2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide?
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 302.75 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 17173608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).