tert-butyl 2-(2,5-dichloroanilino)propanoate

C13H17Cl2NO2 — CID 66337577

IUPACtert-butyl 2-(2,5-dichloroanilino)propanoate
SMILESCC(Nc1cc(Cl)ccc1Cl)C(=O)OC(C)(C)C
InChIInChI=1S/C13H17Cl2NO2/c1-8(12(17)18-13(2,3)4)16-11-7-9(14)5-6-10(11)15/h5-8,16H,1-4H3
InChIKeyHCHGJICXEMLHPN-UHFFFAOYSA-N
MW290.19 g/mol
LogP4.14
Rot. Bonds3

About tert-butyl 2-(2,5-dichloroanilino)propanoate

tert-butyl 2-(2,5-dichloroanilino)propanoate (PubChem CID 66337577) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is tert-butyl 2-(2,5-dichloroanilino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2,5-dichloroanilino)propanoate
PubChem CID66337577
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Nametert-butyl 2-(2,5-dichloroanilino)propanoate
SMILESCC(Nc1cc(Cl)ccc1Cl)C(=O)OC(C)(C)C
InChIInChI=1S/C13H17Cl2NO2/c1-8(12(17)18-13(2,3)4)16-11-7-9(14)5-6-10(11)15/h5-8,16H,1-4H3
InChIKeyHCHGJICXEMLHPN-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(4-chloro-3-fluoroanilino)propanoate
CID 64687546
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
2-(2,5-dichloroanilino)-N-propan-2-ylpropanamide
CID 43084871
tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 81435817
(2S)-2-[4-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]anilino]propanoic acid
CID 90988596
tert-butyl 2-(2,4-dimethylanilino)propanoate
CID 66337211
tert-butyl 2-(3,4-difluoroanilino)propanoate
CID 64686526
2-(2,5-dichloroanilino)-N-prop-2-ynylpropanamide
CID 43113383
N-cyclopropyl-2-(2,5-dichloroanilino)propanamide
CID 43083853
tert-butyl 2-(2,5-difluoro-4-methylanilino)propanoate
CID 103585492
tert-butyl 2-[1-(4-chlorophenyl)ethylamino]propanoate
CID 64686510
2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,5-dichloroanilino)propanoate?
The IUPAC name of tert-butyl 2-(2,5-dichloroanilino)propanoate (CID 66337577) is tert-butyl 2-(2,5-dichloroanilino)propanoate.
What is the SMILES notation for tert-butyl 2-(2,5-dichloroanilino)propanoate?
The canonical SMILES for tert-butyl 2-(2,5-dichloroanilino)propanoate is CC(Nc1cc(Cl)ccc1Cl)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2,5-dichloroanilino)propanoate?
The InChIKey is HCHGJICXEMLHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-8(12(17)18-13(2,3)4)16-11-7-9(14)5-6-10(11)15/h5-8,16H,1-4H3.
What are the key properties of tert-butyl 2-(2,5-dichloroanilino)propanoate?
tert-butyl 2-(2,5-dichloroanilino)propanoate has a molecular weight of 290.19 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,5-dichloroanilino)propanoate is sourced from PubChem (CID 66337577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).