N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide

C12H12Cl2N6O2 — CID 9426700

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1cnnn1
InChIInChI=1S/C12H12Cl2N6O2/c1-19(11(22)6-20-7-15-17-18-20)5-10(21)16-12-8(13)3-2-4-9(12)14/h2-4,7H,5-6H2,1H3,(H,16,21)
InChIKeyQNGCDGKAJARHJI-UHFFFAOYSA-N
MW343.17 g/mol
LogP1.08
Rot. Bonds5

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide (PubChem CID 9426700) has the molecular formula C12H12Cl2N6O2 and a molecular weight of 343.17 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
PubChem CID9426700
Molecular FormulaC12H12Cl2N6O2
Molecular Weight343.17 g/mol
Exact Mass342.04
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1cnnn1
InChIInChI=1S/C12H12Cl2N6O2/c1-19(11(22)6-20-7-15-17-18-20)5-10(21)16-12-8(13)3-2-4-9(12)14/h2-4,7H,5-6H2,1H3,(H,16,21)
InChIKeyQNGCDGKAJARHJI-UHFFFAOYSA-N
XLogP1.08
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide
CID 9150717
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9089490
N-(2,6-dichlorophenyl)-2-[methyl-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]amino]acetamide
CID 78765237
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetamide
CID 26600333
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 7780171
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 41476856
4-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 27807513
N-[2,6-di(propan-2-yl)phenyl]-2-(tetrazol-1-yl)acetamide
CID 8778733
N-tert-butyl-2-[[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767892
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 27807515
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 27807429

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide (CID 9426700) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1cnnn1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is QNGCDGKAJARHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N6O2/c1-19(11(22)6-20-7-15-17-18-20)5-10(21)16-12-8(13)3-2-4-9(12)14/h2-4,7H,5-6H2,1H3,(H,16,21).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 343.17 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 9426700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).