N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide

C14H16Cl2N2O2 — CID 7719861

IUPACN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CCC1
InChIInChI=1S/C14H16Cl2N2O2/c1-18(14(20)9-4-2-5-9)8-12(19)17-13-10(15)6-3-7-11(13)16/h3,6-7,9H,2,4-5,8H2,1H3,(H,17,19)
InChIKeyQDIJHDKAHPEAHB-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.19
Rot. Bonds4

About N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide (PubChem CID 7719861) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
PubChem CID7719861
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC NameN-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
SMILESCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CCC1
InChIInChI=1S/C14H16Cl2N2O2/c1-18(14(20)9-4-2-5-9)8-12(19)17-13-10(15)6-3-7-11(13)16/h3,6-7,9H,2,4-5,8H2,1H3,(H,17,19)
InChIKeyQDIJHDKAHPEAHB-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclopropane-1-carboxamide
CID 78772127
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 7780171
3-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 134044641
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
N-(2,6-dichlorophenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 115577163
4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672752
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-9H-xanthene-9-carboxamide
CID 26899017
(8S)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 100659031
2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamothioyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 11921146
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 9287235
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11938604
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide (CID 7719861) is N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide is CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)C1CCC1.
What is the InChIKey of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide?
The InChIKey is QDIJHDKAHPEAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-18(14(20)9-4-2-5-9)8-12(19)17-13-10(15)6-3-7-11(13)16/h3,6-7,9H,2,4-5,8H2,1H3,(H,17,19).
What are the key properties of N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide?
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide has a molecular weight of 315.20 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 7719861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).