2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide

C14H18Cl2N2O — CID 17173706

IUPAC2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2O/c15-12-6-4-5-11(13(12)16)14(19)17-7-10-18-8-2-1-3-9-18/h4-6H,1-3,7-10H2,(H,17,19)
InChIKeyYDYKLRKTVSGEAY-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.21
Rot. Bonds4

About 2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide

2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 17173706) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID17173706
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H18Cl2N2O/c15-12-6-4-5-11(13(12)16)14(19)17-7-10-18-8-2-1-3-9-18/h4-6H,1-3,7-10H2,(H,17,19)
InChIKeyYDYKLRKTVSGEAY-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 112575773
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
5-amino-2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 107184833
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
2-amino-6-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 63659172
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
N-[2-(azepan-1-yl)ethyl]-3-bromo-2-fluorobenzamide
CID 106547835
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide (CID 17173706) is 2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is YDYKLRKTVSGEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c15-12-6-4-5-11(13(12)16)14(19)17-7-10-18-8-2-1-3-9-18/h4-6H,1-3,7-10H2,(H,17,19).
What are the key properties of 2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide?
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 301.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 17173706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).