[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid

C17H15F3N4O4 — CID 155211805

IUPAC[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
SMILESO=C(O)NCC(=O)NNC(=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O4/c18-17(19,20)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(26)24-23-14(25)9-21-16(27)28/h1-8,21-22H,9H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyPRDYQJSZRGLHJK-UHFFFAOYSA-N
MW396.33 g/mol
LogP2.48
Rot. Bonds5

About [2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid

[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid (PubChem CID 155211805) has the molecular formula C17H15F3N4O4 and a molecular weight of 396.33 g/mol. Its IUPAC name is [2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
PubChem CID155211805
Molecular FormulaC17H15F3N4O4
Molecular Weight396.33 g/mol
Exact Mass396.10
IUPAC Name[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
SMILESO=C(O)NCC(=O)NNC(=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O4/c18-17(19,20)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(26)24-23-14(25)9-21-16(27)28/h1-8,21-22H,9H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyPRDYQJSZRGLHJK-UHFFFAOYSA-N
XLogP2.48
TPSA119.56 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl-[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 166680960
N'-(4-cyanobutanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 147657405
ethyl 2,2-dimethyl-3-oxo-3-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]propanoate
CID 155211832
N'-(2-cyano-2-methylpropanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 155224042
ethane;1-phenylsulfanyl-3-[[2-[4-(trifluoromethyl)anilino]benzoyl]amino]urea
CID 155713022
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
tert-butyl N-methyl-N-[4-oxo-4-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]butyl]carbamate
CID 155211826
3-methyl-2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]pyrrolidine-3-carbohydrazide
CID 155223984
2-oxo-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]-1,3-oxazolidine-4-carbohydrazide
CID 155211855
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
ethane;2-methyl-N'-[2-[4-(trifluoromethyl)anilino]benzoyl]oxolane-2-carbohydrazide
CID 155712990
2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 21179492

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid?
The IUPAC name of [2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid (CID 155211805) is [2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid.
What is the SMILES notation for [2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid?
The canonical SMILES for [2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid is O=C(O)NCC(=O)NNC(=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid?
The InChIKey is PRDYQJSZRGLHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O4/c18-17(19,20)10-5-7-11(8-6-10)22-13-4-2-1-3-12(13)15(26)24-23-14(25)9-21-16(27)28/h1-8,21-22H,9H2,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of [2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid?
[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid has a molecular weight of 396.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid is sourced from PubChem (CID 155211805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).