N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide

C25H18F3NO4 — CID 167766536

IUPACN-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide
SMILESCC(Oc1ccc(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)cc1)c1ccccc1
InChIInChI=1S/C25H18F3NO4/c1-15(16-5-3-2-4-6-16)32-19-10-7-17(8-11-19)24(31)29-18-9-12-22-20(13-18)21(30)14-23(33-22)25(26,27)28/h2-15H,1H3,(H,29,31)
InChIKeyKUTVKSKTULVEMD-UHFFFAOYSA-N
MW453.42 g/mol
LogP6.20
Rot. Bonds5

About N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide

N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide (PubChem CID 167766536) has the molecular formula C25H18F3NO4 and a molecular weight of 453.42 g/mol. Its IUPAC name is N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide
PubChem CID167766536
Molecular FormulaC25H18F3NO4
Molecular Weight453.42 g/mol
Exact Mass453.12
IUPAC NameN-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide
SMILESCC(Oc1ccc(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)cc1)c1ccccc1
InChIInChI=1S/C25H18F3NO4/c1-15(16-5-3-2-4-6-16)32-19-10-7-17(8-11-19)24(31)29-18-9-12-22-20(13-18)21(30)14-23(33-22)25(26,27)28/h2-15H,1H3,(H,29,31)
InChIKeyKUTVKSKTULVEMD-UHFFFAOYSA-N
XLogP6.20
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.42
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-benzamido-4-oxochromene-2-carboxylate
CID 22471894
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
ethyl 4-oxo-6-[[4-(3-phenylpropoxy)benzoyl]amino]chromene-2-carboxylate
CID 22924435
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400
3,5-dimethoxy-N-(4-oxo-2-phenylchromen-6-yl)benzamide
CID 18568778
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572
4-chloro-N-[4-oxo-2-(4-propan-2-ylphenyl)chromen-6-yl]benzamide
CID 27532654
4-fluoro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568714
(4-benzamidophenyl) 4-oxochromene-2-carboxylate
CID 34736141
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568672

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide?
The IUPAC name of N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide (CID 167766536) is N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide.
What is the SMILES notation for N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide?
The canonical SMILES for N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide is CC(Oc1ccc(C(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)cc1)c1ccccc1.
What is the InChIKey of N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide?
The InChIKey is KUTVKSKTULVEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3NO4/c1-15(16-5-3-2-4-6-16)32-19-10-7-17(8-11-19)24(31)29-18-9-12-22-20(13-18)21(30)14-23(33-22)25(26,27)28/h2-15H,1H3,(H,29,31).
What are the key properties of N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide?
N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide has a molecular weight of 453.42 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-2-(trifluoromethyl)chromen-6-yl]-4-(1-phenylethoxy)benzamide is sourced from PubChem (CID 167766536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).