2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C22H16F3N3O4 — CID 60589058

IUPAC2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3N3O4/c23-22(24,25)15-4-3-5-16(13-15)26-21(30)18-6-1-2-7-19(18)27-20(29)12-14-8-10-17(11-9-14)28(31)32/h1-11,13H,12H2,(H,26,30)(H,27,29)
InChIKeyZYUONVHXIFMUMZ-UHFFFAOYSA-N
MW443.38 g/mol
LogP5.05
Rot. Bonds6

About 2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 60589058) has the molecular formula C22H16F3N3O4 and a molecular weight of 443.38 g/mol. Its IUPAC name is 2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID60589058
Molecular FormulaC22H16F3N3O4
Molecular Weight443.38 g/mol
Exact Mass443.11
IUPAC Name2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H16F3N3O4/c23-22(24,25)15-4-3-5-16(13-15)26-21(30)18-6-1-2-7-19(18)27-20(29)12-14-8-10-17(11-9-14)28(31)32/h1-11,13H,12H2,(H,26,30)(H,27,29)
InChIKeyZYUONVHXIFMUMZ-UHFFFAOYSA-N
XLogP5.05
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.38
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 774440
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
4-nitro-2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 3942380
N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126231349
N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 18190867
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
N-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]cycloheptanecarboxamide
CID 56593317
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1313916
2-benzyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2399730
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 60589058) is 2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ZYUONVHXIFMUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O4/c23-22(24,25)15-4-3-5-16(13-15)26-21(30)18-6-1-2-7-19(18)27-20(29)12-14-8-10-17(11-9-14)28(31)32/h1-11,13H,12H2,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 443.38 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 60589058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).