N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide

C12H15F3N2O2 — CID 28586045

IUPACN-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESCC(C)NC(=O)CNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-8(2)17-11(18)7-16-9-4-3-5-10(6-9)19-12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyAANHQKGPAGZQNT-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.52
Rot. Bonds5

About N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide

N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide (PubChem CID 28586045) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
PubChem CID28586045
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
SMILESCC(C)NC(=O)CNc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-8(2)17-11(18)7-16-9-4-3-5-10(6-9)19-12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyAANHQKGPAGZQNT-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079
N-ethyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586058
N-(3-methylbutyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 61062823
N-(2-methylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773766
N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
CID 103643810
N-(2,3-dimethylphenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31773740
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 94818397
methyl 3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoate
CID 108992868
N-(2-iodophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774679
2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308
4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 60850049
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide
CID 55544425

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide?
The IUPAC name of N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide (CID 28586045) is N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide is CC(C)NC(=O)CNc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide?
The InChIKey is AANHQKGPAGZQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(2)17-11(18)7-16-9-4-3-5-10(6-9)19-12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18).
What are the key properties of N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide?
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide has a molecular weight of 276.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide is sourced from PubChem (CID 28586045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).