tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate

C15H20F2N2O3 — CID 113063345

IUPACtert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate
SMILESCC(=O)N(CCNC(=O)OC(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O3/c1-10(20)19(13-6-5-11(16)9-12(13)17)8-7-18-14(21)22-15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,18,21)
InChIKeyUUEOAPHFSHALTD-UHFFFAOYSA-N
MW314.33 g/mol
LogP2.84
Rot. Bonds4

About tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate

tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate (PubChem CID 113063345) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate
PubChem CID113063345
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Nametert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate
SMILESCC(=O)N(CCNC(=O)OC(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O3/c1-10(20)19(13-6-5-11(16)9-12(13)17)8-7-18-14(21)22-15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,18,21)
InChIKeyUUEOAPHFSHALTD-UHFFFAOYSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2,4-difluorophenyl)acetamide
CID 113063349
3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
tert-butyl N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061526
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
tert-butyl N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]carbamate
CID 113059766
tert-butyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060024
tert-butyl N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]carbamate
CID 113061339
3-(N-acetyl-2,4-difluoroanilino)-N-(2-tert-butylphenyl)propanamide
CID 113133488
tert-butyl N-[3-[(2,4-difluorophenyl)methylamino]propyl]carbamate
CID 78942148
tert-butyl N-[2-(N-acetyl-4-cyanoanilino)ethyl]carbamate
CID 113064370
tert-butyl N-[3-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]carbamate
CID 9225218
methyl N-[2-(N-acetyl-2-methoxyanilino)ethyl]carbamate
CID 113060483

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate (CID 113063345) is tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate is CC(=O)N(CCNC(=O)OC(C)(C)C)c1ccc(F)cc1F.
What is the InChIKey of tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate?
The InChIKey is UUEOAPHFSHALTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c1-10(20)19(13-6-5-11(16)9-12(13)17)8-7-18-14(21)22-15(2,3)4/h5-6,9H,7-8H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate?
tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate has a molecular weight of 314.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(N-acetyl-2,4-difluoroanilino)ethyl]carbamate is sourced from PubChem (CID 113063345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).