4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride

C14H21Cl2N3O4 — CID 119508033

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C14H20ClN3O4.ClH/c1-3-17-4-5-18-14(20)9-6-10(15)13(11(7-9)21-2)22-8-12(16)19;/h6-7,17H,3-5,8H2,1-2H3,(H2,16,19)(H,18,20);1H
InChIKeyYXMRNJMYDPESOH-UHFFFAOYSA-N
MW366.25 g/mol
LogP0.97
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride

4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride (PubChem CID 119508033) has the molecular formula C14H21Cl2N3O4 and a molecular weight of 366.25 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
PubChem CID119508033
Molecular FormulaC14H21Cl2N3O4
Molecular Weight366.25 g/mol
Exact Mass365.09
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
SMILESCCNCCNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1.Cl
InChIInChI=1S/C14H20ClN3O4.ClH/c1-3-17-4-5-18-14(20)9-6-10(15)13(11(7-9)21-2)22-8-12(16)19;/h6-7,17H,3-5,8H2,1-2H3,(H2,16,19)(H,18,20);1H
InChIKeyYXMRNJMYDPESOH-UHFFFAOYSA-N
XLogP0.97
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37392929
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536726
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536727
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 16961898
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride (CID 119508033) is 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride is CCNCCNC(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1.Cl.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride?
The InChIKey is YXMRNJMYDPESOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4.ClH/c1-3-17-4-5-18-14(20)9-6-10(15)13(11(7-9)21-2)22-8-12(16)19;/h6-7,17H,3-5,8H2,1-2H3,(H2,16,19)(H,18,20);1H.
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride?
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride has a molecular weight of 366.25 g/mol, XLogP of 0.97, 9 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-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119508033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).