N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide

C17H16Cl2N2O2 — CID 27666006

IUPACN-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-21(11-12-5-3-2-4-6-12)16(22)10-20-17(23)13-7-8-14(18)15(19)9-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyVAVOITWRUGFUIV-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.38
Rot. Bonds5

About N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide (PubChem CID 27666006) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
PubChem CID27666006
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-21(11-12-5-3-2-4-6-12)16(22)10-20-17(23)13-7-8-14(18)15(19)9-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyVAVOITWRUGFUIV-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]benzamide
CID 8950479
3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 112996883
N-[2-(benzylamino)-2-oxoethyl]-3,4-dichlorobenzamide
CID 9336870
N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 110743929
N-[2-[(3-amino-2,2-dimethylpropyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119653613
3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 78813743
3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 86907623
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24546581
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119658374
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 7535764
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 17480746

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide (CID 27666006) is N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide is CN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide?
The InChIKey is VAVOITWRUGFUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-21(11-12-5-3-2-4-6-12)16(22)10-20-17(23)13-7-8-14(18)15(19)9-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide?
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide has a molecular weight of 351.23 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 27666006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).