4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide

C14H18F3N3O — CID 79378514

IUPAC4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
SMILESNc1cc(C(F)(F)F)ccc1NCCCC(=O)NC1CC1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)9-3-6-12(11(18)8-9)19-7-1-2-13(21)20-10-4-5-10/h3,6,8,10,19H,1-2,4-5,7,18H2,(H,20,21)
InChIKeyGGRIVSGOTAXYJX-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.76
Rot. Bonds6

About 4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide

4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide (PubChem CID 79378514) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
PubChem CID79378514
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
SMILESNc1cc(C(F)(F)F)ccc1NCCCC(=O)NC1CC1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)9-3-6-12(11(18)8-9)19-7-1-2-13(21)20-10-4-5-10/h3,6,8,10,19H,1-2,4-5,7,18H2,(H,20,21)
InChIKeyGGRIVSGOTAXYJX-UHFFFAOYSA-N
XLogP2.76
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-amino-4-(trifluoromethyl)anilino]pentanamide
CID 106234030
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-cyclopropylpropanamide
CID 62626845
3-[2-amino-4-(trifluoromethyl)anilino]propanamide
CID 43553390
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
4-(4-amino-2-bromoanilino)-N-cyclopropylbutanamide
CID 79394565
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467
4-[(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopropylbutanamide
CID 79378774
4-(2-amino-4-fluoro-5-methoxyanilino)-N-cyclopropylbutanamide
CID 79394408
2-[2-amino-4-(trifluoromethyl)phenyl]sulfinyl-N-cyclopropylacetamide
CID 81174688
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
CID 82992240
4-(4-cyano-2-fluoroanilino)-N-cyclopropylbutanamide
CID 78916011
N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
CID 79825438

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide (CID 79378514) is 4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide is Nc1cc(C(F)(F)F)ccc1NCCCC(=O)NC1CC1.
What is the InChIKey of 4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide?
The InChIKey is GGRIVSGOTAXYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)9-3-6-12(11(18)8-9)19-7-1-2-13(21)20-10-4-5-10/h3,6,8,10,19H,1-2,4-5,7,18H2,(H,20,21).
What are the key properties of 4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide?
4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide has a molecular weight of 301.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79378514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).