2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide

C14H18F2N2O2 — CID 113178927

IUPAC2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(C(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-4-9(2)17-14(20)8-18(10(3)19)13-6-5-11(15)7-12(13)16/h5-7,9H,4,8H2,1-3H3,(H,17,20)
InChIKeyKKFUGYHNWIKRSO-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.23
Rot. Bonds5

About 2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide

2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide (PubChem CID 113178927) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide
PubChem CID113178927
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(C(C)=O)c1ccc(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-4-9(2)17-14(20)8-18(10(3)19)13-6-5-11(15)7-12(13)16/h5-7,9H,4,8H2,1-3H3,(H,17,20)
InChIKeyKKFUGYHNWIKRSO-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 113179083
2-(N-acetyl-2,4-difluoroanilino)acetic acid
CID 28766218
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953
2-(N-acetyl-2,4-difluoroanilino)-N-(2,6-diethylphenyl)acetamide
CID 113179024
2-(N-acetyl-2,4-difluoroanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 113179021
2-(N-acetyl-2,4-difluoroanilino)-N-(3-fluorophenyl)acetamide
CID 113179072
2-(N-acetyl-2,4-difluoroanilino)-N-(3-methylphenyl)acetamide
CID 113179006
3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816
2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide
CID 113176823
2-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113178994
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113063351

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide?
The IUPAC name of 2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide (CID 113178927) is 2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide is CCC(C)NC(=O)CN(C(C)=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide?
The InChIKey is KKFUGYHNWIKRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-4-9(2)17-14(20)8-18(10(3)19)13-6-5-11(15)7-12(13)16/h5-7,9H,4,8H2,1-3H3,(H,17,20).
What are the key properties of 2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide?
2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide has a molecular weight of 284.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-difluoroanilino)-N-butan-2-ylacetamide is sourced from PubChem (CID 113178927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).