N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide

C14H19ClN2O2 — CID 31971689

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)C(C)(C)C
InChIInChI=1S/C14H19ClN2O2/c1-14(2,3)13(19)17(4)9-12(18)16-11-8-6-5-7-10(11)15/h5-8H,9H2,1-4H3,(H,16,18)
InChIKeyCXZQQGYSSXAGOI-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.78
Rot. Bonds3

About N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide

N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide (PubChem CID 31971689) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
PubChem CID31971689
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
SMILESCN(CC(=O)Nc1ccccc1Cl)C(=O)C(C)(C)C
InChIInChI=1S/C14H19ClN2O2/c1-14(2,3)13(19)17(4)9-12(18)16-11-8-6-5-7-10(11)15/h5-8H,9H2,1-4H3,(H,16,18)
InChIKeyCXZQQGYSSXAGOI-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 38635337
2-[tert-butyl-[2-(2-chloroanilino)-2-oxoethyl]amino]acetic acid
CID 79268949
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2698454
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 9145607
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,3-dimethylanilino)-N-methylacetamide
CID 26505954
N-(2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 78962251
[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] propanoate
CID 7851347
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 31971501
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2482106
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide (CID 31971689) is N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide is CN(CC(=O)Nc1ccccc1Cl)C(=O)C(C)(C)C.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide?
The InChIKey is CXZQQGYSSXAGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(2,3)13(19)17(4)9-12(18)16-11-8-6-5-7-10(11)15/h5-8H,9H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide has a molecular weight of 282.77 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 31971689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).