2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide

C14H16ClF3N2O2 — CID 113179265

IUPAC2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)NC(C)C)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H16ClF3N2O2/c1-8(2)19-13(22)7-20(9(3)21)10-4-5-12(15)11(6-10)14(16,17)18/h4-6,8H,7H2,1-3H3,(H,19,22)
InChIKeyPUIQUSTXRAYBKR-UHFFFAOYSA-N
MW336.74 g/mol
LogP3.24
Rot. Bonds4

About 2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide

2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide (PubChem CID 113179265) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is 2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
PubChem CID113179265
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC Name2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)NC(C)C)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H16ClF3N2O2/c1-8(2)19-13(22)7-20(9(3)21)10-4-5-12(15)11(6-10)14(16,17)18/h4-6,8H,7H2,1-3H3,(H,19,22)
InChIKeyPUIQUSTXRAYBKR-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,5-dichloroanilino)-N-propan-2-ylacetamide
CID 113179672
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113063486
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113179432
2-(N-acetyl-2,4-dichloroanilino)-N-propan-2-ylacetamide
CID 113179538
2-(N-acetyl-4-methoxyanilino)-N-propan-2-ylacetamide
CID 113173486
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28633450
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-[(2S)-pentan-2-yl]acetamide
CID 2206325
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 113130512
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
CID 113172392
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
2-(N-acetyl-3-chloroanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113171420

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide (CID 113179265) is 2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide is CC(=O)N(CC(=O)NC(C)C)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
The InChIKey is PUIQUSTXRAYBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c1-8(2)19-13(22)7-20(9(3)21)10-4-5-12(15)11(6-10)14(16,17)18/h4-6,8H,7H2,1-3H3,(H,19,22).
What are the key properties of 2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide?
2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide has a molecular weight of 336.74 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 113179265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).