methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate

C10H10Cl2N2O3 — CID 113001448

IUPACmethyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2O3/c1-17-10(16)13-5-8(15)14-9-6(11)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyAPXVDOOVOPJSJF-UHFFFAOYSA-N
MW277.11 g/mol
LogP2.29
Rot. Bonds3

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

methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate (PubChem CID 113001448) has the molecular formula C10H10Cl2N2O3 and a molecular weight of 277.11 g/mol. Its IUPAC name is methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
PubChem CID113001448
Molecular FormulaC10H10Cl2N2O3
Molecular Weight277.11 g/mol
Exact Mass276.01
IUPAC Namemethyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C10H10Cl2N2O3/c1-17-10(16)13-5-8(15)14-9-6(11)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,16)(H,14,15)
InChIKeyAPXVDOOVOPJSJF-UHFFFAOYSA-N
XLogP2.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]butanamide
CID 113001397
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 113001445
3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001415
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001418
N-(2,6-dichlorophenyl)-2-(4-methylanilino)acetamide
CID 39445182
N-[2-(2,6-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 110698088
methyl 2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]benzoate
CID 109010077
N-(2,6-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 43405262
methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
CID 112996068
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(2,6-dichlorophenyl)-2-sulfanylacetamide
CID 14567957

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate (CID 113001448) is methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate is COC(=O)NCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate?
The InChIKey is APXVDOOVOPJSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3/c1-17-10(16)13-5-8(15)14-9-6(11)3-2-4-7(9)12/h2-4H,5H2,1H3,(H,13,16)(H,14,15).
What are the key properties of methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate?
methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate has a molecular weight of 277.11 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2,6-dichloroanilino)-2-oxoethyl]carbamate is sourced from PubChem (CID 113001448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).