2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide

C13H16F4N2O — CID 78953142

IUPAC2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)NCC(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O/c1-12(2,3)18-7-11(20)19-10-6-8(13(15,16)17)4-5-9(10)14/h4-6,18H,7H2,1-3H3,(H,19,20)
InChIKeyINXUTCNWSGCUGK-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.17
Rot. Bonds3

About 2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide

2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 78953142) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID78953142
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)NCC(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O/c1-12(2,3)18-7-11(20)19-10-6-8(13(15,16)17)4-5-9(10)14/h4-6,18H,7H2,1-3H3,(H,19,20)
InChIKeyINXUTCNWSGCUGK-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
CID 63035996
3-[2-fluoro-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 63049503
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide
CID 166428369
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
CID 55143429
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 63036661
2-(aminomethyl)-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 63036682
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
N-(cyanomethyl)-N'-[2-fluoro-5-(trifluoromethyl)phenyl]oxamide
CID 63037708

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide (CID 78953142) is 2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide is CC(C)(C)NCC(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is INXUTCNWSGCUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-12(2,3)18-7-11(20)19-10-6-8(13(15,16)17)4-5-9(10)14/h4-6,18H,7H2,1-3H3,(H,19,20).
What are the key properties of 2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide?
2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 292.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 78953142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).