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

C16H22ClN3O4 — CID 119536727

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCC2CCNC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C16H22ClN3O4/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)
InChIKeyUIIBKHSXDDBKPT-UHFFFAOYSA-N
MW355.82 g/mol
LogP0.94
Rot. Bonds8

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

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119536727) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119536727
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCC2CCNC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C16H22ClN3O4/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)
InChIKeyUIIBKHSXDDBKPT-UHFFFAOYSA-N
XLogP0.94
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 50.94
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;hydrochloride
CID 119536726
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
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
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
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-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601789

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119536727) is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide is COc1cc(C(=O)NCCC2CCNC2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is UIIBKHSXDDBKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4/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).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 355.82 g/mol, XLogP of 0.94, 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 is sourced from PubChem (CID 119536727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).