2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide

C19H17F6N3O — CID 86935010

IUPAC2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNc1ccc(C(F)(F)F)cn1)C1CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)12-3-1-2-11(8-12)14-9-15(14)17(29)27-7-6-26-16-5-4-13(10-28-16)19(23,24)25/h1-5,8,10,14-15H,6-7,9H2,(H,26,28)(H,27,29)
InChIKeyCWWTXVBWSPHCKM-UHFFFAOYSA-N
MW417.35 g/mol
LogP4.45
Rot. Bonds6

About 2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide

2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide (PubChem CID 86935010) has the molecular formula C19H17F6N3O and a molecular weight of 417.35 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide
PubChem CID86935010
Molecular FormulaC19H17F6N3O
Molecular Weight417.35 g/mol
Exact Mass417.13
IUPAC Name2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNc1ccc(C(F)(F)F)cn1)C1CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F6N3O/c20-18(21,22)12-3-1-2-11(8-12)14-9-15(14)17(29)27-7-6-26-16-5-4-13(10-28-16)19(23,24)25/h1-5,8,10,14-15H,6-7,9H2,(H,26,28)(H,27,29)
InChIKeyCWWTXVBWSPHCKM-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95620997
trans-(1S,2S)-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96511366
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119535708
trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96515120
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795
6-(1,3-benzothiazol-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclohex-3-ene-1-carboxamide
CID 55617673
N-[2-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 102558540
N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119566596
N-[3-(3-methylpiperidin-1-yl)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 86935043
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]prop-2-enamide
CID 51938691
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide (CID 86935010) is 2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide is O=C(NCCNc1ccc(C(F)(F)F)cn1)C1CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide?
The InChIKey is CWWTXVBWSPHCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N3O/c20-18(21,22)12-3-1-2-11(8-12)14-9-15(14)17(29)27-7-6-26-16-5-4-13(10-28-16)19(23,24)25/h1-5,8,10,14-15H,6-7,9H2,(H,26,28)(H,27,29).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide?
2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 417.35 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86935010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).