4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride

C14H21Cl2N3O3 — CID 119729851

IUPAC4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C14H20ClN3O3.ClH/c1-17(2)13(19)9-18(6-7-21-3)14(20)11-5-4-10(16)8-12(11)15;/h4-5,8H,6-7,9,16H2,1-3H3;1H
InChIKeyLWNDNHLVMMKPMQ-UHFFFAOYSA-N
MW350.25 g/mol
LogP1.52
Rot. Bonds6

About 4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride

4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride (PubChem CID 119729851) has the molecular formula C14H21Cl2N3O3 and a molecular weight of 350.25 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
PubChem CID119729851
Molecular FormulaC14H21Cl2N3O3
Molecular Weight350.25 g/mol
Exact Mass349.10
IUPAC Name4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1ccc(N)cc1Cl.Cl
InChIInChI=1S/C14H20ClN3O3.ClH/c1-17(2)13(19)9-18(6-7-21-3)14(20)11-5-4-10(16)8-12(11)15;/h4-5,8H,6-7,9,16H2,1-3H3;1H
InChIKeyLWNDNHLVMMKPMQ-UHFFFAOYSA-N
XLogP1.52
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120623191
2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 61106038
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729862
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 61106039
4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 62921855
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 62681504
4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 60776063
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113467625
4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 102990858
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
N-(4-amino-2-chlorophenyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108516132
ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 106501591

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride?
The IUPAC name of 4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride (CID 119729851) is 4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride is COCCN(CC(=O)N(C)C)C(=O)c1ccc(N)cc1Cl.Cl.
What is the InChIKey of 4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride?
The InChIKey is LWNDNHLVMMKPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3.ClH/c1-17(2)13(19)9-18(6-7-21-3)14(20)11-5-4-10(16)8-12(11)15;/h4-5,8H,6-7,9,16H2,1-3H3;1H.
What are the key properties of 4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride?
4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride has a molecular weight of 350.25 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride is sourced from PubChem (CID 119729851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).