N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide

C15H19F3N2O — CID 112731367

IUPACN-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide
SMILESO=C(CCCNCc1ccccc1C(F)(F)F)NC1CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)13-5-2-1-4-11(13)10-19-9-3-6-14(21)20-12-7-8-12/h1-2,4-5,12,19H,3,6-10H2,(H,20,21)
InChIKeyRHHPQAPHBSWTEN-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.85
Rot. Bonds7

About N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide

N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide (PubChem CID 112731367) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide
PubChem CID112731367
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide
SMILESO=C(CCCNCc1ccccc1C(F)(F)F)NC1CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)13-5-2-1-4-11(13)10-19-9-3-6-14(21)20-12-7-8-12/h1-2,4-5,12,19H,3,6-10H2,(H,20,21)
InChIKeyRHHPQAPHBSWTEN-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(cyanomethoxy)phenyl]methylamino]-N-cyclopropylbutanamide
CID 112731938
4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide
CID 79393798
4-[[[4-(cyclopropylamino)-4-oxobutyl]amino]methyl]benzoic acid
CID 79394418
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
CID 22006356
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119456983
2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide
CID 79395029
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
N-cyclopropyl-3-[[2-(difluoromethoxy)phenyl]methylamino]propanamide
CID 78977855
N-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 11793930
N-piperidin-3-yl-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119426295

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide (CID 112731367) is N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide is O=C(CCCNCc1ccccc1C(F)(F)F)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide?
The InChIKey is RHHPQAPHBSWTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)13-5-2-1-4-11(13)10-19-9-3-6-14(21)20-12-7-8-12/h1-2,4-5,12,19H,3,6-10H2,(H,20,21).
What are the key properties of N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide?
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide has a molecular weight of 300.32 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide is sourced from PubChem (CID 112731367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).