N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide

C21H15F3N2O3 — CID 10126715

IUPACN-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NO)c1ccc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C21H15F3N2O3/c22-21(23,24)17-5-1-4-16(11-17)19(27)25-18-6-2-3-15(12-18)13-7-9-14(10-8-13)20(28)26-29/h1-12,29H,(H,25,27)(H,26,28)
InChIKeyCHBYTQQHMIFBOK-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.74
Rot. Bonds4

About N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 10126715) has the molecular formula C21H15F3N2O3 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID10126715
Molecular FormulaC21H15F3N2O3
Molecular Weight400.36 g/mol
Exact Mass400.10
IUPAC NameN-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NO)c1ccc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C21H15F3N2O3/c22-21(23,24)17-5-1-4-16(11-17)19(27)25-18-6-2-3-15(12-18)13-7-9-14(10-8-13)20(28)26-29/h1-12,29H,(H,25,27)(H,26,28)
InChIKeyCHBYTQQHMIFBOK-UHFFFAOYSA-N
XLogP4.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(4-fluorobenzoyl)amino]phenyl]-N-hydroxybenzamide
CID 10308934
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
3-(4-carbamoylphenyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 151068564
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-[4-(hydroxycarbamoyl)phenyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 91058519
N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126231349
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide (CID 10126715) is N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide is O=C(NO)c1ccc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is CHBYTQQHMIFBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3/c22-21(23,24)17-5-1-4-16(11-17)19(27)25-18-6-2-3-15(12-18)13-7-9-14(10-8-13)20(28)26-29/h1-12,29H,(H,25,27)(H,26,28).
What are the key properties of N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 400.36 g/mol, XLogP of 4.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 10126715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).