3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide

C16H24ClN3O3 — CID 119445563

IUPAC3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCN2CCNCC2)cc1OC
InChIInChI=1S/C16H24ClN3O3/c1-3-23-15-13(17)10-12(11-14(15)22-2)16(21)19-6-9-20-7-4-18-5-8-20/h10-11,18H,3-9H2,1-2H3,(H,19,21)
InChIKeyACSRIUWDVQSNLQ-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.38
Rot. Bonds7

About 3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide

3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide (PubChem CID 119445563) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
PubChem CID119445563
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCN2CCNCC2)cc1OC
InChIInChI=1S/C16H24ClN3O3/c1-3-23-15-13(17)10-12(11-14(15)22-2)16(21)19-6-9-20-7-4-18-5-8-20/h10-11,18H,3-9H2,1-2H3,(H,19,21)
InChIKeyACSRIUWDVQSNLQ-UHFFFAOYSA-N
XLogP1.38
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391318
4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448351
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 46446956
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-5-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-propoxybenzamide
CID 43067046
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-4-ethoxy-N-(3-hydroxypentyl)-5-methoxybenzamide
CID 71848078
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 17013971
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide (CID 119445563) is 3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide is CCOc1c(Cl)cc(C(=O)NCCN2CCNCC2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide?
The InChIKey is ACSRIUWDVQSNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3/c1-3-23-15-13(17)10-12(11-14(15)22-2)16(21)19-6-9-20-7-4-18-5-8-20/h10-11,18H,3-9H2,1-2H3,(H,19,21).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide?
3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide has a molecular weight of 341.84 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119445563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).