N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide

C23H22F3N3O2 — CID 58103508

IUPACN-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide
SMILESO=C(NCCO)c1cccc(-c2cccc(NCCc3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)19-7-1-4-16(14-19)10-11-27-21-9-3-8-20(29-21)17-5-2-6-18(15-17)22(31)28-12-13-30/h1-9,14-15,30H,10-13H2,(H,27,29)(H,28,31)
InChIKeyCANXTRAYPBAKQC-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.14
Rot. Bonds8

About N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide

N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide (PubChem CID 58103508) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide
PubChem CID58103508
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC NameN-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide
SMILESO=C(NCCO)c1cccc(-c2cccc(NCCc3cccc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)19-7-1-4-16(14-19)10-11-27-21-9-3-8-20(29-21)17-5-2-6-18(15-17)22(31)28-12-13-30/h1-9,14-15,30H,10-13H2,(H,27,29)(H,28,31)
InChIKeyCANXTRAYPBAKQC-UHFFFAOYSA-N
XLogP4.14
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzoic acid
CID 66857601
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 91058519
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
CID 59194084
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78796629
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
3-[[2,6-dichloro-4-(trifluoromethyl)phenyl]methyl]-N-(2-hydroxyethyl)benzamide
CID 58459031
3-[6-[4-(2-fluoropropan-2-yloxy)anilino]pyrimidin-4-yl]-N-(2-hydroxyethyl)benzamide
CID 144886669
1-[3-[4-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]phenyl]ethanone
CID 117086963
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-(3-hydroxypropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide
CID 164735182

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide (CID 58103508) is N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide is O=C(NCCO)c1cccc(-c2cccc(NCCc3cccc(C(F)(F)F)c3)n2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide?
The InChIKey is CANXTRAYPBAKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c24-23(25,26)19-7-1-4-16(14-19)10-11-27-21-9-3-8-20(29-21)17-5-2-6-18(15-17)22(31)28-12-13-30/h1-9,14-15,30H,10-13H2,(H,27,29)(H,28,31).
What are the key properties of N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide?
N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide has a molecular weight of 429.44 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzamide is sourced from PubChem (CID 58103508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).