N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride

C16H24Cl2N2O3 — CID 119475170

IUPACN-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
SMILESCCOc1c(Cl)cc(C(=O)NC2CCC(N)CC2)cc1OC.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-3-22-15-13(17)8-10(9-14(15)21-2)16(20)19-12-6-4-11(18)5-7-12;/h8-9,11-12H,3-7,18H2,1-2H3,(H,19,20);1H
InChIKeyBQMSUTUBJPMFRT-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.17
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride

N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride (PubChem CID 119475170) has the molecular formula C16H24Cl2N2O3 and a molecular weight of 363.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
PubChem CID119475170
Molecular FormulaC16H24Cl2N2O3
Molecular Weight363.29 g/mol
Exact Mass362.12
IUPAC NameN-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
SMILESCCOc1c(Cl)cc(C(=O)NC2CCC(N)CC2)cc1OC.Cl
InChIInChI=1S/C16H23ClN2O3.ClH/c1-3-22-15-13(17)8-10(9-14(15)21-2)16(20)19-12-6-4-11(18)5-7-12;/h8-9,11-12H,3-7,18H2,1-2H3,(H,19,20);1H
InChIKeyBQMSUTUBJPMFRT-UHFFFAOYSA-N
XLogP3.17
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
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N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119474386
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119521982
3-chloro-4-ethoxy-5-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120558006
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119572875
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 94799711
3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide
CID 86965528
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride (CID 119475170) is N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride is CCOc1c(Cl)cc(C(=O)NC2CCC(N)CC2)cc1OC.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
The InChIKey is BQMSUTUBJPMFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3.ClH/c1-3-22-15-13(17)8-10(9-14(15)21-2)16(20)19-12-6-4-11(18)5-7-12;/h8-9,11-12H,3-7,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride?
N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride has a molecular weight of 363.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119475170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).