3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide

C13H16Cl2N2O2 — CID 56812632

IUPAC3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-4-17(8-12(18)16(2)3)13(19)9-5-6-10(14)11(15)7-9/h5-7H,4,8H2,1-3H3
InChIKeyVFCPKEJUAZEVDH-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.54
Rot. Bonds4

About 3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide

3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide (PubChem CID 56812632) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
PubChem CID56812632
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H16Cl2N2O2/c1-4-17(8-12(18)16(2)3)13(19)9-5-6-10(14)11(15)7-9/h5-7H,4,8H2,1-3H3
InChIKeyVFCPKEJUAZEVDH-UHFFFAOYSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-fluoropyridine-4-carboxamide
CID 61292713
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide
CID 47298057
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3,4-dichloro-N-ethylbenzamide
CID 54992752
2-[(3-chloro-4-fluorobenzoyl)-ethylamino]acetic acid
CID 82875630
3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide
CID 86908282
3,4-dichloro-N,N-bis(cyanomethyl)benzamide
CID 5018129
3,4-dichloro-N-[2-(diethylcarbamoylamino)ethyl]benzamide
CID 108570671
3,4-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 5198515
3,4,5-trichloro-N,N-diethylbenzamide
CID 50849492
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-ethyl-4-fluorobenzamide
CID 82875675
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide?
The IUPAC name of 3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide (CID 56812632) is 3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide is CCN(CC(=O)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide?
The InChIKey is VFCPKEJUAZEVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-4-17(8-12(18)16(2)3)13(19)9-5-6-10(14)11(15)7-9/h5-7H,4,8H2,1-3H3.
What are the key properties of 3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide?
3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide has a molecular weight of 303.19 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide is sourced from PubChem (CID 56812632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).