2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide

C14H20ClN3O3 — CID 61106038

IUPAC2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H20ClN3O3/c1-17(2)13(19)9-18(6-7-21-3)14(20)11-8-10(15)4-5-12(11)16/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyJSBLMIDBIDBAPM-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.10
Rot. Bonds6

About 2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide

2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide (PubChem CID 61106038) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
PubChem CID61106038
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)N(C)C)C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H20ClN3O3/c1-17(2)13(19)9-18(6-7-21-3)14(20)11-8-10(15)4-5-12(11)16/h4-5,8H,6-7,9,16H2,1-3H3
InChIKeyJSBLMIDBIDBAPM-UHFFFAOYSA-N
XLogP1.10
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.10
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

4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729851
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 62681504
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120623191
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide
CID 61106039
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093
4-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 60776063
2-amino-5-chloro-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61110797
methyl 2-[(2-amino-5-chlorobenzoyl)-propylamino]acetate
CID 61109430
2-amino-5-chloro-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 61108278
2-(2-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 61107155
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729862
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide (CID 61106038) is 2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)N(C)C)C(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is JSBLMIDBIDBAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-17(2)13(19)9-18(6-7-21-3)14(20)11-8-10(15)4-5-12(11)16/h4-5,8H,6-7,9,16H2,1-3H3.
What are the key properties of 2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 313.79 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 61106038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).