4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C16H23Cl2N3O4 — CID 119536726

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCC2CCNC2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C16H22ClN3O4.ClH/c1-23-13-7-11(6-12(17)15(13)24-9-14(18)21)16(22)20-5-3-10-2-4-19-8-10;/h6-7,10,19H,2-5,8-9H2,1H3,(H2,18,21)(H,20,22);1H
InChIKeyMPNNZDVJFGZXOO-UHFFFAOYSA-N
MW392.28 g/mol
LogP1.36
Rot. Bonds8

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

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119536726) 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-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119536726
Molecular FormulaC16H23Cl2N3O4
Molecular Weight392.28 g/mol
Exact Mass391.11
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCCC2CCNC2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C16H22ClN3O4.ClH/c1-23-13-7-11(6-12(17)15(13)24-9-14(18)21)16(22)20-5-3-10-2-4-19-8-10;/h6-7,10,19H,2-5,8-9H2,1H3,(H2,18,21)(H,20,22);1H
InChIKeyMPNNZDVJFGZXOO-UHFFFAOYSA-N
XLogP1.36
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536727
3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034
3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
CID 119558430
4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535369
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
CID 119508033
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534238
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 125134434
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534239
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601789
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119536726) is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is COc1cc(C(=O)NCCC2CCNC2)cc(Cl)c1OCC(N)=O.Cl.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is MPNNZDVJFGZXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4.ClH/c1-23-13-7-11(6-12(17)15(13)24-9-14(18)21)16(22)20-5-3-10-2-4-19-8-10;/h6-7,10,19H,2-5,8-9H2,1H3,(H2,18,21)(H,20,22);1H.
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 392.28 g/mol, XLogP of 1.36, 8 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-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119536726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).