3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride

C18H28Cl2N2O3 — CID 120575515

IUPAC3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)NC2CCCNC2C)cc1OCC.Cl
InChIInChI=1S/C18H27ClN2O3.ClH/c1-4-9-24-17-14(19)10-13(11-16(17)23-5-2)18(22)21-15-7-6-8-20-12(15)3;/h10-12,15,20H,4-9H2,1-3H3,(H,21,22);1H
InChIKeyZSIMLVRLRXOEAX-UHFFFAOYSA-N
MW391.34 g/mol
LogP3.82
Rot. Bonds7

About 3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride

3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride (PubChem CID 120575515) has the molecular formula C18H28Cl2N2O3 and a molecular weight of 391.34 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride
PubChem CID120575515
Molecular FormulaC18H28Cl2N2O3
Molecular Weight391.34 g/mol
Exact Mass390.15
IUPAC Name3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride
SMILESCCCOc1c(Cl)cc(C(=O)NC2CCCNC2C)cc1OCC.Cl
InChIInChI=1S/C18H27ClN2O3.ClH/c1-4-9-24-17-14(19)10-13(11-16(17)23-5-2)18(22)21-15-7-6-8-20-12(15)3;/h10-12,15,20H,4-9H2,1-3H3,(H,21,22);1H
InChIKeyZSIMLVRLRXOEAX-UHFFFAOYSA-N
XLogP3.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 120577293
3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride
CID 120600118
N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119475557
cis-(1S,3R)-3-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675561
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
N-(2-amino-1-cyclopropylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119614001
3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide
CID 51923190
4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120577814
4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573672
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461806
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride?
The IUPAC name of 3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride (CID 120575515) is 3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride.
What is the SMILES notation for 3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride?
The canonical SMILES for 3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride is CCCOc1c(Cl)cc(C(=O)NC2CCCNC2C)cc1OCC.Cl.
What is the InChIKey of 3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride?
The InChIKey is ZSIMLVRLRXOEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3.ClH/c1-4-9-24-17-14(19)10-13(11-16(17)23-5-2)18(22)21-15-7-6-8-20-12(15)3;/h10-12,15,20H,4-9H2,1-3H3,(H,21,22);1H.
What are the key properties of 3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride?
3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride has a molecular weight of 391.34 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride is sourced from PubChem (CID 120575515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).