2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide

C21H25F3N2O — CID 162721267

IUPAC2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide
SMILESCCCCC(N)C(=O)NCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H25F3N2O/c1-2-3-4-19(25)20(27)26-14-13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21(22,23)24/h5-12,19H,2-4,13-14,25H2,1H3,(H,26,27)
InChIKeyFBJWRXBECXKOBG-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.55
Rot. Bonds8

About 2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide

2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide (PubChem CID 162721267) has the molecular formula C21H25F3N2O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide
PubChem CID162721267
Molecular FormulaC21H25F3N2O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide
SMILESCCCCC(N)C(=O)NCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H25F3N2O/c1-2-3-4-19(25)20(27)26-14-13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21(22,23)24/h5-12,19H,2-4,13-14,25H2,1H3,(H,26,27)
InChIKeyFBJWRXBECXKOBG-UHFFFAOYSA-N
XLogP4.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide;hydrochloride
CID 162721213
(2S)-2-amino-N-chloro-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide
CID 168861912
(2S)-2-(methylamino)-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide
CID 162721230
(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]hexan-2-amine
CID 146224491
4-[3-amino-3-[4-(trifluoromethyl)phenyl]propyl]-N-dodecylbenzamide
CID 173223113
(2S)-2-amino-N-(2-pyridin-4-ylethyl)pentanamide
CID 107568774
(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide
CID 157198688
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
2-amino-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]pentanamide
CID 119338432
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide?
The IUPAC name of 2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide (CID 162721267) is 2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide.
What is the SMILES notation for 2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide?
The canonical SMILES for 2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide is CCCCC(N)C(=O)NCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide?
The InChIKey is FBJWRXBECXKOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O/c1-2-3-4-19(25)20(27)26-14-13-15-5-7-16(8-6-15)17-9-11-18(12-10-17)21(22,23)24/h5-12,19H,2-4,13-14,25H2,1H3,(H,26,27).
What are the key properties of 2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide?
2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide has a molecular weight of 378.44 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]hexanamide is sourced from PubChem (CID 162721267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).