[[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate

C16H9F6NO3 — CID 599404

IUPAC[[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate
SMILESO=C(NOC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H9F6NO3/c17-15(18,19)11-6-4-9(5-7-11)13(24)23-26-14(25)10-2-1-3-12(8-10)16(20,21)22/h1-8H,(H,23,24)
InChIKeyQXHSIGGCWMDOJK-UHFFFAOYSA-N
MW377.24 g/mol
LogP4.23
Rot. Bonds2

About [[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate

[[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate (PubChem CID 599404) has the molecular formula C16H9F6NO3 and a molecular weight of 377.24 g/mol. Its IUPAC name is [[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate
PubChem CID599404
Molecular FormulaC16H9F6NO3
Molecular Weight377.24 g/mol
Exact Mass377.05
IUPAC Name[[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate
SMILESO=C(NOC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H9F6NO3/c17-15(18,19)11-6-4-9(5-7-11)13(24)23-26-14(25)10-2-1-3-12(8-10)16(20,21)22/h1-8H,(H,23,24)
InChIKeyQXHSIGGCWMDOJK-UHFFFAOYSA-N
XLogP4.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Benzoyl-O-benzylhydroxylamine
CID 252925
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
3-(4-Carbamoylphenyl)benzoic acid
CID 126484502
(4-methylphenyl)-N-[(4-methylphenyl)methoxy]carboxamide
CID 4776030
3-methyl-N-[(4-methylbenzyl)oxy]benzamide
CID 19582487
3-Carbamoyl-5-{3-[4-(trifluoromethyl)phenyl]phenyl}benzoic acid
CID 10643787
3-Carbamoyl-5-{4-[4-(trifluoromethyl)phenyl]phenyl}benzoic acid
CID 10691466
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]-3,5-dimethylbenzamide
CID 155510762
Dibenzhydroxamic acid
CID 94873
3-(3-Carbamoyl-phenyl)-acrylic acid benzyl ester
CID 10540769
N-Acetoxy-N-benzyloxybenzamide
CID 154238
N-benzyloxy-4-fluoro-benzamide
CID 9227227

Frequently Asked Questions

What is the IUPAC name of [[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate?
The IUPAC name of [[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate (CID 599404) is [[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate.
What is the SMILES notation for [[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate?
The canonical SMILES for [[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate is O=C(NOC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate?
The InChIKey is QXHSIGGCWMDOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6NO3/c17-15(18,19)11-6-4-9(5-7-11)13(24)23-26-14(25)10-2-1-3-12(8-10)16(20,21)22/h1-8H,(H,23,24).
What are the key properties of [[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate?
[[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate has a molecular weight of 377.24 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(trifluoromethyl)benzoyl]amino] 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 599404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).