N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide

C14H18Cl2N2O2 — CID 17395441

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-14(2,3)17-12(19)8-18(4)13(20)10-7-9(15)5-6-11(10)16/h5-7H,8H2,1-4H3,(H,17,19)
InChIKeyXBCJZTIYMNWSNJ-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.98
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide

N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide (PubChem CID 17395441) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
PubChem CID17395441
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H18Cl2N2O2/c1-14(2,3)17-12(19)8-18(4)13(20)10-7-9(15)5-6-11(10)16/h5-7H,8H2,1-4H3,(H,17,19)
InChIKeyXBCJZTIYMNWSNJ-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-N-methylbenzamide
CID 60936833
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-5-[(3-chloro-4-methylphenyl)sulfamoyl]-N-methylbenzamide
CID 24660340
2,4-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide
CID 103882161
N-tert-butyl-2-[[2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55568921
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
N-[2-(tert-butylamino)-2-oxoethyl]-3-hydroxy-N-methylnaphthalene-2-carboxamide
CID 31550745
2-[[5-(tert-butylcarbamoylamino)-2-chlorobenzoyl]-methylamino]acetic acid
CID 119172148
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618559
3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 103706525
N-[2-(tert-butylamino)-2-oxoethyl]-3,4,5-trifluoro-N-methylbenzamide
CID 63188877
N-tert-butyl-2-[(2,5-dichlorophenyl)sulfonyl-ethylamino]acetamide
CID 2506680
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide (CID 17395441) is N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide is CN(CC(=O)NC(C)(C)C)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide?
The InChIKey is XBCJZTIYMNWSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-14(2,3)17-12(19)8-18(4)13(20)10-7-9(15)5-6-11(10)16/h5-7H,8H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide has a molecular weight of 317.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide is sourced from PubChem (CID 17395441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).