3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid

C19H28Cl2N2O5 — CID 21409840

IUPAC3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid
SMILESCCCCC(C)(CN(C)C(=O)c1ccc(Cl)c(Cl)c1)N(C)C.O=C(O)C(=O)O
InChIInChI=1S/C17H26Cl2N2O.C2H2O4/c1-6-7-10-17(2,20(3)4)12-21(5)16(22)13-8-9-14(18)15(19)11-13;3-1(4)2(5)6/h8-9,11H,6-7,10,12H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyROPCJXDWTHHMGZ-UHFFFAOYSA-N
MW435.35 g/mol
LogP3.73
Rot. Bonds7

About 3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid

3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid (PubChem CID 21409840) has the molecular formula C19H28Cl2N2O5 and a molecular weight of 435.35 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid
PubChem CID21409840
Molecular FormulaC19H28Cl2N2O5
Molecular Weight435.35 g/mol
Exact Mass434.14
IUPAC Name3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid
SMILESCCCCC(C)(CN(C)C(=O)c1ccc(Cl)c(Cl)c1)N(C)C.O=C(O)C(=O)O
InChIInChI=1S/C17H26Cl2N2O.C2H2O4/c1-6-7-10-17(2,20(3)4)12-21(5)16(22)13-8-9-14(18)15(19)11-13;3-1(4)2(5)6/h8-9,11H,6-7,10,12H2,1-5H3;(H,3,4)(H,5,6)
InChIKeyROPCJXDWTHHMGZ-UHFFFAOYSA-N
XLogP3.73
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3E)-3-[butyl(methyl)hydrazinylidene]pentyl]-3,4-dichloro-N-methylbenzamide
CID 155350283
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531152
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
4-bromo-3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80975840
(E)-3-[2-chloro-4-[methyl(pentyl)carbamoyl]phenyl]prop-2-enoic acid
CID 81293865
3,4-dichloro-N-(2-cyanopropan-2-yl)-N-methylbenzamide
CID 94697054
3,4-dichloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylbenzamide
CID 56812632
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 60936833
3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-nitrobenzamide
CID 82780349

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid?
The IUPAC name of 3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid (CID 21409840) is 3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid.
What is the SMILES notation for 3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid?
The canonical SMILES for 3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid is CCCCC(C)(CN(C)C(=O)c1ccc(Cl)c(Cl)c1)N(C)C.O=C(O)C(=O)O.
What is the InChIKey of 3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid?
The InChIKey is ROPCJXDWTHHMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2O.C2H2O4/c1-6-7-10-17(2,20(3)4)12-21(5)16(22)13-8-9-14(18)15(19)11-13;3-1(4)2(5)6/h8-9,11H,6-7,10,12H2,1-5H3;(H,3,4)(H,5,6).
What are the key properties of 3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid?
3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid has a molecular weight of 435.35 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(dimethylamino)-2-methylhexyl]-N-methylbenzamide;oxalic acid is sourced from PubChem (CID 21409840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).