3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide

C15H18Cl2N2O2 — CID 86908282

IUPAC3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide
SMILESC=C(C)CN(CC)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c1-4-19(9-10(2)3)14(20)8-18-15(21)11-5-6-12(16)13(17)7-11/h5-7H,2,4,8-9H2,1,3H3,(H,18,21)
InChIKeyJJLAHTICWGULAV-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.15
Rot. Bonds6

About 3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide (PubChem CID 86908282) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide
PubChem CID86908282
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide
SMILESC=C(C)CN(CC)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c1-4-19(9-10(2)3)14(20)8-18-15(21)11-5-6-12(16)13(17)7-11/h5-7H,2,4,8-9H2,1,3H3,(H,18,21)
InChIKeyJJLAHTICWGULAV-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 112996883
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
3,4-dichloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 140914054
3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
CID 56812632
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78902099
2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55437543
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
N-[2-(diethylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 34837733
3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 86907623
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 25315753

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide (CID 86908282) is 3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide is C=C(C)CN(CC)C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide?
The InChIKey is JJLAHTICWGULAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-4-19(9-10(2)3)14(20)8-18-15(21)11-5-6-12(16)13(17)7-11/h5-7H,2,4,8-9H2,1,3H3,(H,18,21).
What are the key properties of 3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide has a molecular weight of 329.23 g/mol, XLogP of 3.15, 6 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(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 86908282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).