3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide

C12H16Cl2N2O — CID 140914054

IUPAC3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
SMILESCCN(C)CCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-16(2)7-6-15-12(17)9-4-5-10(13)11(14)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyJWDWAJCSVNAOPK-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.67
Rot. Bonds5

About 3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide

3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide (PubChem CID 140914054) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
PubChem CID140914054
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
SMILESCCN(C)CCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-3-16(2)7-6-15-12(17)9-4-5-10(13)11(14)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyJWDWAJCSVNAOPK-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
3-amino-4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 55097987
4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 81295607
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671
N-[2-[acetyl(propan-2-yl)amino]ethyl]-3,4-dichlorobenzamide
CID 113051988
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-hydroxybenzamide
CID 107075159
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
3,4-dichloro-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064977
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
3,4-dichloro-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]benzamide
CID 154613272
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 38426855

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide (CID 140914054) is 3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide is CCN(C)CCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
The InChIKey is JWDWAJCSVNAOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-3-16(2)7-6-15-12(17)9-4-5-10(13)11(14)8-9/h4-5,8H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of 3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide?
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide has a molecular weight of 275.18 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 140914054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).