N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide

C23H16F3N3O4 — CID 155568852

IUPACN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC(C(=O)NO)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)ccc2N1
InChIInChI=1S/C23H16F3N3O4/c24-16-8-14(9-17(25)20(16)26)11-1-3-12(4-2-11)21(23(32)29-33)28-22(31)13-5-6-18-15(7-13)10-19(30)27-18/h1-9,21,33H,10H2,(H,27,30)(H,28,31)(H,29,32)
InChIKeyJCNZBSYWEFVNJC-UHFFFAOYSA-N
MW455.39 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide

N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide (PubChem CID 155568852) has the molecular formula C23H16F3N3O4 and a molecular weight of 455.39 g/mol. Its IUPAC name is N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide
PubChem CID155568852
Molecular FormulaC23H16F3N3O4
Molecular Weight455.39 g/mol
Exact Mass455.11
IUPAC NameN-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide
SMILESO=C1Cc2cc(C(=O)NC(C(=O)NO)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)ccc2N1
InChIInChI=1S/C23H16F3N3O4/c24-16-8-14(9-17(25)20(16)26)11-1-3-12(4-2-11)21(23(32)29-33)28-22(31)13-5-6-18-15(7-13)10-19(30)27-18/h1-9,21,33H,10H2,(H,27,30)(H,28,31)(H,29,32)
InChIKeyJCNZBSYWEFVNJC-UHFFFAOYSA-N
XLogP3.24
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]propanamide
CID 155564712
N-benzhydryl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784603
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 113429194
N-(1,1-dimethoxypropan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 102712430
2-oxo-N-(2,3,4-trifluorophenyl)-1,3-dihydroindole-5-carboxamide
CID 110700473
2-oxo-N-pent-4-en-2-yl-1,3-dihydroindole-5-carboxamide
CID 113237405
N-(3,4-difluorophenyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 110700475
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354
3-cyclopropyl-3-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 102710846
2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1,3-dihydroindole-5-carboxamide
CID 108784618

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide (CID 155568852) is N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide is O=C1Cc2cc(C(=O)NC(C(=O)NO)c3ccc(-c4cc(F)c(F)c(F)c4)cc3)ccc2N1.
What is the InChIKey of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
The InChIKey is JCNZBSYWEFVNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O4/c24-16-8-14(9-17(25)20(16)26)11-1-3-12(4-2-11)21(23(32)29-33)28-22(31)13-5-6-18-15(7-13)10-19(30)27-18/h1-9,21,33H,10H2,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide?
N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide has a molecular weight of 455.39 g/mol, XLogP of 3.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxyamino)-2-oxo-1-[4-(3,4,5-trifluorophenyl)phenyl]ethyl]-2-oxo-1,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 155568852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).