N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

C25H25F3N2O3 — CID 11328609

IUPACN-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1OCCO
InChIInChI=1S/C25H25F3N2O3/c1-24(2,3)19-11-10-18(15-21(19)33-14-13-31)30-23(32)17-8-6-16(7-9-17)22-20(25(26,27)28)5-4-12-29-22/h4-12,15,31H,13-14H2,1-3H3,(H,30,32)
InChIKeyCHTNJPBTERMMPI-UHFFFAOYSA-N
MW458.48 g/mol
LogP5.69
Rot. Bonds6

About N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide

N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 11328609) has the molecular formula C25H25F3N2O3 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
PubChem CID11328609
Molecular FormulaC25H25F3N2O3
Molecular Weight458.48 g/mol
Exact Mass458.18
IUPAC NameN-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1OCCO
InChIInChI=1S/C25H25F3N2O3/c1-24(2,3)19-11-10-18(15-21(19)33-14-13-31)30-23(32)17-8-6-16(7-9-17)22-20(25(26,27)28)5-4-12-29-22/h4-12,15,31H,13-14H2,1-3H3,(H,30,32)
InChIKeyCHTNJPBTERMMPI-UHFFFAOYSA-N
XLogP5.69
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-tert-butyl-3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 11753250
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 44525563
N-[4-tert-butyl-3-(2-piperidin-2-ylethoxy)phenyl]-2-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 69347131
N-[4-(diethylamino)phenyl]-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673724
3-chloro-N-(3-chloro-4-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673140
N-[4-tert-butyl-3-[3-(2-methoxyethylamino)propoxy]phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030013
N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118766693
N-(4-butylphenyl)-3-methoxy-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673054
N-[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 23537186
4-(3-chloro-2-pyridinyl)-N-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]benzamide
CID 59673528
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
N-[4-tert-butyl-3-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 71058772

Frequently Asked Questions

What is the IUPAC name of N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide (CID 11328609) is N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C(F)(F)F)cc2)cc1OCCO.
What is the InChIKey of N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
The InChIKey is CHTNJPBTERMMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3/c1-24(2,3)19-11-10-18(15-21(19)33-14-13-31)30-23(32)17-8-6-16(7-9-17)22-20(25(26,27)28)5-4-12-29-22/h4-12,15,31H,13-14H2,1-3H3,(H,30,32).
What are the key properties of N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide?
N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 458.48 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-tert-butyl-3-(2-hydroxyethoxy)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 11328609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).