[4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate

C18H19FN2O3 — CID 174384480

IUPAC[4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-18(2,3)21-17(23)24-13-10-8-12(9-11-13)20-16(22)14-6-4-5-7-15(14)19/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyFBTWQJKWBGBJHD-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.96
Rot. Bonds3

About [4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate

[4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate (PubChem CID 174384480) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is [4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate
PubChem CID174384480
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name[4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C18H19FN2O3/c1-18(2,3)21-17(23)24-13-10-8-12(9-11-13)20-16(22)14-6-4-5-7-15(14)19/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyFBTWQJKWBGBJHD-UHFFFAOYSA-N
XLogP3.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17340482
2-fluoro-N-[4-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1287432
N-[4-(tert-butylsulfamoyl)phenyl]-2-fluorobenzamide
CID 1306785
tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate
CID 54015016
2-fluoro-N-[4-[3-(4-methoxyphenyl)-2-oxopropyl]phenyl]benzamide
CID 58422785
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 23733524
(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
2-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982009

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate?
The IUPAC name of [4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate (CID 174384480) is [4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate.
What is the SMILES notation for [4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate?
The canonical SMILES for [4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of [4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate?
The InChIKey is FBTWQJKWBGBJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-18(2,3)21-17(23)24-13-10-8-12(9-11-13)20-16(22)14-6-4-5-7-15(14)19/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of [4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate?
[4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate has a molecular weight of 330.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorobenzoyl)amino]phenyl] N-tert-butylcarbamate is sourced from PubChem (CID 174384480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).