N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide

C26H19F3N2O2 — CID 66913281

IUPACN-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1c(C(=O)c2ccccc2)cnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C26H19F3N2O2/c1-2-22(32)31-21-14-7-6-11-17(21)23-18-12-8-13-20(26(27,28)29)24(18)30-15-19(23)25(33)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,31,32)
InChIKeyCNRQVRMCWVNNMM-UHFFFAOYSA-N
MW448.44 g/mol
LogP6.50
Rot. Bonds5

About N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide

N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide (PubChem CID 66913281) has the molecular formula C26H19F3N2O2 and a molecular weight of 448.44 g/mol. Its IUPAC name is N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide
PubChem CID66913281
Molecular FormulaC26H19F3N2O2
Molecular Weight448.44 g/mol
Exact Mass448.14
IUPAC NameN-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1c(C(=O)c2ccccc2)cnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C26H19F3N2O2/c1-2-22(32)31-21-14-7-6-11-17(21)23-18-12-8-13-20(26(27,28)29)24(18)30-15-19(23)25(33)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,31,32)
InChIKeyCNRQVRMCWVNNMM-UHFFFAOYSA-N
XLogP6.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.44
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(ethylamino)phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914483
phenyl-[4-thiophen-2-yl-8-(trifluoromethyl)quinolin-3-yl]methanone
CID 11429019
1-[[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methyl]-3-(2-fluorophenyl)urea
CID 66914239
1-(2-acetylphenyl)-3-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]urea
CID 66914729
N-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-2-(2-fluorophenyl)acetamide
CID 66913489
1-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-3-(3-fluorophenyl)urea
CID 66914238
2-[4-[[4-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]anilino]methyl]phenyl]acetic acid
CID 68813456
1-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-3-thiophen-3-ylurea
CID 66914514
1-[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]-3-(4-fluorophenyl)thiourea
CID 11353296
[4-[3-[[(2-methylsulfanylphenyl)methylamino]methyl]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66913645
[4-[3-[(3-ethenylphenyl)methylamino]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914391
2-[4-[[3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]-N-methylanilino]methyl]phenyl]acetic acid
CID 66914197

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide?
The IUPAC name of N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide (CID 66913281) is N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide.
What is the SMILES notation for N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide?
The canonical SMILES for N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide is CCC(=O)Nc1ccccc1-c1c(C(=O)c2ccccc2)cnc2c(C(F)(F)F)cccc12.
What is the InChIKey of N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide?
The InChIKey is CNRQVRMCWVNNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O2/c1-2-22(32)31-21-14-7-6-11-17(21)23-18-12-8-13-20(26(27,28)29)24(18)30-15-19(23)25(33)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,31,32).
What are the key properties of N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide?
N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide has a molecular weight of 448.44 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]propanamide is sourced from PubChem (CID 66913281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).