N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide

C13H17F3N2O — CID 110481380

IUPACN-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C13H17F3N2O/c1-3-8(4-2)12(19)18-11-7-9(13(14,15)16)5-6-10(11)17/h5-8H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyMMLXYWCPSWJPHZ-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.66
Rot. Bonds4

About N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide

N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide (PubChem CID 110481380) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
PubChem CID110481380
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C13H17F3N2O/c1-3-8(4-2)12(19)18-11-7-9(13(14,15)16)5-6-10(11)17/h5-8H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyMMLXYWCPSWJPHZ-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-amino-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 110481478
2-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 65225734
N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide
CID 43188508
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
(2S)-2-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]butanamide
CID 103930468
2-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 11506603
N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
CID 28866736
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
2-amino-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]pentanamide
CID 119832122
(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960611

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide?
The IUPAC name of N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide (CID 110481380) is N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1cc(C(F)(F)F)ccc1N.
What is the InChIKey of N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide?
The InChIKey is MMLXYWCPSWJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-8(4-2)12(19)18-11-7-9(13(14,15)16)5-6-10(11)17/h5-8H,3-4,17H2,1-2H3,(H,18,19).
What are the key properties of N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide?
N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide has a molecular weight of 274.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(trifluoromethyl)phenyl]-2-ethylbutanamide is sourced from PubChem (CID 110481380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).