4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide

C12H15Cl2N3O2 — CID 104931694

IUPAC4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCCN(C)C(=O)CNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-3-17(2)10(18)6-16-12(19)7-4-8(13)11(15)9(14)5-7/h4-5H,3,6,15H2,1-2H3,(H,16,19)
InChIKeySVNKOFJFWSQECO-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.78
Rot. Bonds4

About 4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide

4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide (PubChem CID 104931694) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
PubChem CID104931694
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
SMILESCCN(C)C(=O)CNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C12H15Cl2N3O2/c1-3-17(2)10(18)6-16-12(19)7-4-8(13)11(15)9(14)5-7/h4-5H,3,6,15H2,1-2H3,(H,16,19)
InChIKeySVNKOFJFWSQECO-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 134063159
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]benzoic acid
CID 114134240
5-bromo-2-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104920335
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
4-amino-3,5-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 82833484
5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 114132588
3-bromo-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-methylbenzamide
CID 104920331
4-amino-3,5-dichloro-N-(3-ethylpentan-3-yl)benzamide
CID 82832878
2-[[(4-amino-3,5-dichlorobenzoyl)amino]methyl]butanoic acid
CID 82833378
3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 104920297

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide (CID 104931694) is 4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide is CCN(C)C(=O)CNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
The InChIKey is SVNKOFJFWSQECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-3-17(2)10(18)6-16-12(19)7-4-8(13)11(15)9(14)5-7/h4-5H,3,6,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide?
4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide has a molecular weight of 304.18 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 104931694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).