N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride

C16H23Cl2N3O4 — CID 119477661

IUPACN-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCC(N)CC2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C16H22ClN3O4.ClH/c1-23-13-7-9(6-12(17)15(13)24-8-14(19)21)16(22)20-11-4-2-10(18)3-5-11;/h6-7,10-11H,2-5,8,18H2,1H3,(H2,19,21)(H,20,22);1H
InChIKeyIBWQVDMJPFFXEL-UHFFFAOYSA-N
MW392.28 g/mol
LogP1.63
Rot. Bonds6

About N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride

N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride (PubChem CID 119477661) has the molecular formula C16H23Cl2N3O4 and a molecular weight of 392.28 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
PubChem CID119477661
Molecular FormulaC16H23Cl2N3O4
Molecular Weight392.28 g/mol
Exact Mass391.11
IUPAC NameN-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC2CCC(N)CC2)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C16H22ClN3O4.ClH/c1-23-13-7-9(6-12(17)15(13)24-8-14(19)21)16(22)20-11-4-2-10(18)3-5-11;/h6-7,10-11H,2-5,8,18H2,1H3,(H2,19,21)(H,20,22);1H
InChIKeyIBWQVDMJPFFXEL-UHFFFAOYSA-N
XLogP1.63
TPSA116.67 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 ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601789
N-(2-adamantyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide
CID 18138322
N-(4-aminocyclohexyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119475557
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536726
N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119474386
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536727
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
CID 51316375
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
CID 119508033
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride (CID 119477661) is N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride is COc1cc(C(=O)NC2CCC(N)CC2)cc(Cl)c1OCC(N)=O.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride?
The InChIKey is IBWQVDMJPFFXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4.ClH/c1-23-13-7-9(6-12(17)15(13)24-8-14(19)21)16(22)20-11-4-2-10(18)3-5-11;/h6-7,10-11H,2-5,8,18H2,1H3,(H2,19,21)(H,20,22);1H.
What are the key properties of N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride?
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride has a molecular weight of 392.28 g/mol, XLogP of 1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119477661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).