2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

C12H16Cl2N2O — CID 110484021

IUPAC2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-15(2)6-7-16(3)12(17)10-8-9(13)4-5-11(10)14/h4-5,8H,6-7H2,1-3H3
InChIKeyXYUPLIMWHHYGEM-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.63
Rot. Bonds4

About 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (PubChem CID 110484021) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
PubChem CID110484021
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-15(2)6-7-16(3)12(17)10-8-9(13)4-5-11(10)14/h4-5,8H,6-7H2,1-3H3
InChIKeyXYUPLIMWHHYGEM-UHFFFAOYSA-N
XLogP2.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride
CID 127255589
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091
2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248
(2,5-dichlorobenzoyl)-methylcarbamic acid
CID 21444917
5-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide
CID 117044877
N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106499987
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
CID 17395441
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44928667
5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114923600
N-[(5-bromothiophen-2-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 27839407

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The IUPAC name of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (CID 110484021) is 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The InChIKey is XYUPLIMWHHYGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-15(2)6-7-16(3)12(17)10-8-9(13)4-5-11(10)14/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide has a molecular weight of 275.18 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is sourced from PubChem (CID 110484021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).