2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide

C12H16ClN3O2 — CID 63660537

IUPAC2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-15(2)10(17)7-16(3)12(18)11-8(13)5-4-6-9(11)14/h4-6H,7,14H2,1-3H3
InChIKeyJDFURZNNNSEQCE-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.08
Rot. Bonds3

About 2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide

2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 63660537) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID63660537
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(C)C(=O)CN(C)C(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-15(2)10(17)7-16(3)12(18)11-8(13)5-4-6-9(11)14/h4-6H,7,14H2,1-3H3
InChIKeyJDFURZNNNSEQCE-UHFFFAOYSA-N
XLogP1.08
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-chloro-N-(cyclopropylmethyl)-N-methylbenzamide
CID 63658050
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
methyl 2-[(2,6-dichlorobenzoyl)-methylamino]acetate
CID 43422763
2-amino-6-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 55244149
2-amino-6-chloro-N-propan-2-yl-N-propylbenzamide
CID 63659127
4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 82833484
2-amino-6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63659531
2-amino-6-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 63660209
2-amino-6-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
CID 103187354
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide
CID 63658073
2-amino-6-chlorobenzohydrazide;ethane
CID 145125015

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide (CID 63660537) is 2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide is CN(C)C(=O)CN(C)C(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is JDFURZNNNSEQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-15(2)10(17)7-16(3)12(18)11-8(13)5-4-6-9(11)14/h4-6H,7,14H2,1-3H3.
What are the key properties of 2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide?
2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 269.73 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 63660537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).