4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

C16H23Cl2N3O4 — CID 120601789

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCNC(C)C2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C16H22ClN3O4.ClH/c1-9-5-11(3-4-19-9)20-16(22)10-6-12(17)15(13(7-10)23-2)24-8-14(18)21;/h6-7,9,11,19H,3-5,8H2,1-2H3,(H2,18,21)(H,20,22);1H
InChIKeyNUIFMFXUWMFKDD-UHFFFAOYSA-N
MW392.28 g/mol
LogP1.50
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120601789) has the molecular formula C16H23Cl2N3O4 and a molecular weight of 392.28 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120601789
Molecular FormulaC16H23Cl2N3O4
Molecular Weight392.28 g/mol
Exact Mass391.11
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCNC(C)C2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C16H22ClN3O4.ClH/c1-9-5-11(3-4-19-9)20-16(22)10-6-12(17)15(13(7-10)23-2)24-8-14(18)21;/h6-7,9,11,19H,3-5,8H2,1-2H3,(H2,18,21)(H,20,22);1H
InChIKeyNUIFMFXUWMFKDD-UHFFFAOYSA-N
XLogP1.50
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide
CID 120598880
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride
CID 120600118
N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide
CID 18138322
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536726
3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601431
cis-methyl (1R,3S)-3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]cyclohexane-1-carboxylate
CID 97324780
trans-methyl (1R,3R)-3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]cyclohexane-1-carboxylate
CID 97324779
methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]cyclohexane-1-carboxylate
CID 75429682
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536727
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450911

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120601789) is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is COc1cc(C(=O)NC2CCNC(C)C2)cc(Cl)c1OCC(N)=O.Cl.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is NUIFMFXUWMFKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4.ClH/c1-9-5-11(3-4-19-9)20-16(22)10-6-12(17)15(13(7-10)23-2)24-8-14(18)21;/h6-7,9,11,19H,3-5,8H2,1-2H3,(H2,18,21)(H,20,22);1H.
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 392.28 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120601789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).