3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide

C14H18F4N2O — CID 61229798

IUPAC3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C)NCCC(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F4N2O/c1-13(2,3)19-7-6-12(21)20-9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8,19H,6-7H2,1-3H3,(H,20,21)
InChIKeyPXARWTUUFVNFOD-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.56
Rot. Bonds4

About 3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide

3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 61229798) has the molecular formula C14H18F4N2O and a molecular weight of 306.30 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID61229798
Molecular FormulaC14H18F4N2O
Molecular Weight306.30 g/mol
Exact Mass306.14
IUPAC Name3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C)NCCC(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F4N2O/c1-13(2,3)19-7-6-12(21)20-9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8,19H,6-7H2,1-3H3,(H,20,21)
InChIKeyPXARWTUUFVNFOD-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-[3-(tert-butylamino)propanoylamino]-2-fluorobenzoate
CID 60849582
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
2-chloro-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]acetamide
CID 166428368
4-[4-fluoro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63891626
3-[4-fluoro-3-(trifluoromethyl)anilino]propanoic acid
CID 61228436
4-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]butanamide
CID 63308876
2-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 61227663
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
N-[4-bromo-2-(trifluoromethyl)phenyl]-3-(tert-butylamino)propanamide
CID 60851337
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(3-hydroxypropyl)urea
CID 60597825
N-(5-bromo-2-fluorophenyl)-3-(tert-butylamino)propanamide
CID 60850786

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide (CID 61229798) is 3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide is CC(C)(C)NCCC(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is PXARWTUUFVNFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O/c1-13(2,3)19-7-6-12(21)20-9-4-5-11(15)10(8-9)14(16,17)18/h4-5,8,19H,6-7H2,1-3H3,(H,20,21).
What are the key properties of 3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide?
3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 306.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 61229798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).