N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide

C18H16F3N3O3 — CID 88757956

IUPACN-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NO)c1ccc(N(c2cccc(C(F)(F)F)c2)C2CCNC2=O)cc1
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)12-2-1-3-14(10-12)24(15-8-9-22-17(15)26)13-6-4-11(5-7-13)16(25)23-27/h1-7,10,15,27H,8-9H2,(H,22,26)(H,23,25)
InChIKeyPATPQSBBWCFJPY-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.85
Rot. Bonds4

About N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide

N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide (PubChem CID 88757956) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide
PubChem CID88757956
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC NameN-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide
SMILESO=C(NO)c1ccc(N(c2cccc(C(F)(F)F)c2)C2CCNC2=O)cc1
InChIInChI=1S/C18H16F3N3O3/c19-18(20,21)12-2-1-3-14(10-12)24(15-8-9-22-17(15)26)13-6-4-11(5-7-13)16(25)23-27/h1-7,10,15,27H,8-9H2,(H,22,26)(H,23,25)
InChIKeyPATPQSBBWCFJPY-UHFFFAOYSA-N
XLogP2.85
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-hydroxy-4-(N-(2-oxopyrrolidin-3-yl)-3-propan-2-yloxyanilino)benzamide
CID 88757367
4-(4-cyano-N-(2-oxopyrrolidin-3-yl)anilino)-N-hydroxybenzamide
CID 88757091
3,3-difluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]azetidine-1-carboxamide
CID 138634163
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-(2,2,3,3,3-pentafluoropropyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 140707312
1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 122569454
N-hydroxy-4-[[pyridin-3-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 174310052
N-hydroxy-4-[[3-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
CID 73300939
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
CID 18648125
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 10126715
4-[N-carbamoyl-3-(trifluoromethyl)anilino]benzoic acid
CID 70144203

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide?
The IUPAC name of N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide (CID 88757956) is N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide.
What is the SMILES notation for N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide?
The canonical SMILES for N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide is O=C(NO)c1ccc(N(c2cccc(C(F)(F)F)c2)C2CCNC2=O)cc1.
What is the InChIKey of N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide?
The InChIKey is PATPQSBBWCFJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c19-18(20,21)12-2-1-3-14(10-12)24(15-8-9-22-17(15)26)13-6-4-11(5-7-13)16(25)23-27/h1-7,10,15,27H,8-9H2,(H,22,26)(H,23,25).
What are the key properties of N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide?
N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide has a molecular weight of 379.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[N-(2-oxopyrrolidin-3-yl)-3-(trifluoromethyl)anilino]benzamide is sourced from PubChem (CID 88757956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).