N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide

C15H20F2N2O2 — CID 113064598

IUPACN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-10(2)8-15(21)18-6-7-19(11(3)20)12-4-5-13(16)14(17)9-12/h4-5,9-10H,6-8H2,1-3H3,(H,18,21)
InChIKeyFFKYDMQCRDIABY-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.48
Rot. Bonds6

About N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide

N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide (PubChem CID 113064598) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
PubChem CID113064598
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O2/c1-10(2)8-15(21)18-6-7-19(11(3)20)12-4-5-13(16)14(17)9-12/h4-5,9-10H,6-8H2,1-3H3,(H,18,21)
InChIKeyFFKYDMQCRDIABY-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
CID 113057868
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534
N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide
CID 113060337
N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide
CID 113061635
N-[2-(3,4-difluoro-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113072464
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
3-(N-acetyl-3,4-difluoroanilino)propanoic acid
CID 28764847
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113064642
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
CID 113064610
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620
N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064664

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide (CID 113064598) is N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide is CC(=O)N(CCNC(=O)CC(C)C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide?
The InChIKey is FFKYDMQCRDIABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10(2)8-15(21)18-6-7-19(11(3)20)12-4-5-13(16)14(17)9-12/h4-5,9-10H,6-8H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide?
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide has a molecular weight of 298.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113064598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).