4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C24H17F3N2O3 — CID 45267734

IUPAC4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ccc2occc(=O)c2c1
InChIInChI=1S/C24H17F3N2O3/c1-14-5-6-15(23(31)29-17-4-2-3-16(12-17)24(25,26)27)11-20(14)28-18-7-8-22-19(13-18)21(30)9-10-32-22/h2-13,28H,1H3,(H,29,31)
InChIKeyHVJUKOMXCPCKPX-UHFFFAOYSA-N
MW438.41 g/mol
LogP6.12
Rot. Bonds4

About 4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 45267734) has the molecular formula C24H17F3N2O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is 4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID45267734
Molecular FormulaC24H17F3N2O3
Molecular Weight438.41 g/mol
Exact Mass438.12
IUPAC Name4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ccc2occc(=O)c2c1
InChIInChI=1S/C24H17F3N2O3/c1-14-5-6-15(23(31)29-17-4-2-3-16(12-17)24(25,26)27)11-20(14)28-18-7-8-22-19(13-18)21(30)9-10-32-22/h2-13,28H,1H3,(H,29,31)
InChIKeyHVJUKOMXCPCKPX-UHFFFAOYSA-N
XLogP6.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1407639
3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 138857895
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24783650
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 68505609
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622218
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
4-chloro-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155137949
ethyl 3-[[4-methoxy-3-[3-(trifluoromethyl)anilino]benzoyl]amino]benzoate
CID 54422821
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 45267734) is 4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ccc2occc(=O)c2c1.
What is the InChIKey of 4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HVJUKOMXCPCKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O3/c1-14-5-6-15(23(31)29-17-4-2-3-16(12-17)24(25,26)27)11-20(14)28-18-7-8-22-19(13-18)21(30)9-10-32-22/h2-13,28H,1H3,(H,29,31).
What are the key properties of 4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 438.41 g/mol, XLogP of 6.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-oxochromen-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 45267734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).