2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide

C14H17F3N2O2 — CID 113181217

IUPAC2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide
SMILESCCCCNC(=O)CN(C(C)=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O2/c1-3-4-7-18-12(21)8-19(9(2)20)11-6-5-10(15)13(16)14(11)17/h5-6H,3-4,7-8H2,1-2H3,(H,18,21)
InChIKeyNIXSHXGSDXHFNX-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.37
Rot. Bonds6

About 2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide

2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide (PubChem CID 113181217) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide
PubChem CID113181217
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide
SMILESCCCCNC(=O)CN(C(C)=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H17F3N2O2/c1-3-4-7-18-12(21)8-19(9(2)20)11-6-5-10(15)13(16)14(11)17/h5-6H,3-4,7-8H2,1-2H3,(H,18,21)
InChIKeyNIXSHXGSDXHFNX-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-methylbutyl)acetamide
CID 113181280
2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide
CID 113172064
2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
CID 113181630
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113064446
2-(N-acetyl-3-chloro-2-methylanilino)-N-butylacetamide
CID 113171663
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113181321
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113181358
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
3-(N-acetyl-2,3,4-trifluoroanilino)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 113135240
2-[N-acetyl-4-[(4-chlorophenyl)methoxy]anilino]-N-butylacetamide
CID 113179396
2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
CID 113173852
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181335

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide?
The IUPAC name of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide (CID 113181217) is 2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide.
What is the SMILES notation for 2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide?
The canonical SMILES for 2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide is CCCCNC(=O)CN(C(C)=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide?
The InChIKey is NIXSHXGSDXHFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-3-4-7-18-12(21)8-19(9(2)20)11-6-5-10(15)13(16)14(11)17/h5-6H,3-4,7-8H2,1-2H3,(H,18,21).
What are the key properties of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide?
2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide has a molecular weight of 302.30 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,3,4-trifluoroanilino)-N-butylacetamide is sourced from PubChem (CID 113181217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).