2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

C12H16Cl2N2O — CID 110484091

IUPAC2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-15(2)7-8-16(3)12(17)9-5-4-6-10(13)11(9)14/h4-6H,7-8H2,1-3H3
InChIKeyPUMSHMKUBKHOKY-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.63
Rot. Bonds4

About 2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide

2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (PubChem CID 110484091) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
PubChem CID110484091
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-15(2)7-8-16(3)12(17)9-5-4-6-10(13)11(9)14/h4-6H,7-8H2,1-3H3
InChIKeyPUMSHMKUBKHOKY-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

2,3-dichloro-N-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 63265748
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
2,3-dichloro-N-(2-chloroethyl)-N-ethylbenzamide
CID 63395049
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625
2-[(2,3-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901309
methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate
CID 37417321
2,3-dichloro-N-ethyl-N-(2-phenylethyl)benzamide
CID 52573948
2,3-dichloro-N-(2-chloroethyl)-N-propylbenzamide
CID 63393170
2,3-dichloro-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 18112706
4-[(2-chlorobenzoyl)-methylamino]butanoic acid
CID 43090074
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The IUPAC name of 2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide (CID 110484091) is 2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The canonical SMILES for 2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is CN(C)CCN(C)C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
The InChIKey is PUMSHMKUBKHOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-15(2)7-8-16(3)12(17)9-5-4-6-10(13)11(9)14/h4-6H,7-8H2,1-3H3.
What are the key properties of 2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide?
2,3-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 2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide is sourced from PubChem (CID 110484091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).