N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide

C19H19F3N2O2 — CID 112997585

IUPACN-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C19H19F3N2O2/c1-19(2,3)11-4-6-12(7-5-11)24-15(25)10-23-18(26)13-8-9-14(20)17(22)16(13)21/h4-9H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyFAVRAMKWZMIKKS-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.77
Rot. Bonds4

About N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide

N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide (PubChem CID 112997585) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
PubChem CID112997585
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
SMILESCC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C19H19F3N2O2/c1-19(2,3)11-4-6-12(7-5-11)24-15(25)10-23-18(26)13-8-9-14(20)17(22)16(13)21/h4-9H,10H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyFAVRAMKWZMIKKS-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 113002351
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 9413593
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2-phenylacetamide
CID 27258908
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113059125
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980375
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
tert-butyl N-[2-oxo-2-[2-[(2,3,4-trifluorobenzoyl)amino]anilino]ethyl]carbamate
CID 108917393

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide (CID 112997585) is N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide is CC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccc(F)c(F)c2F)cc1.
What is the InChIKey of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide?
The InChIKey is FAVRAMKWZMIKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-19(2,3)11-4-6-12(7-5-11)24-15(25)10-23-18(26)13-8-9-14(20)17(22)16(13)21/h4-9H,10H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide?
N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide has a molecular weight of 364.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 112997585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).