N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide

C20H23FN2O3 — CID 139348151

IUPACN-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide
SMILESCOc1cccc(F)c1CC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H23FN2O3/c1-20(2,3)23-19(25)13-7-5-8-14(11-13)22-18(24)12-15-16(21)9-6-10-17(15)26-4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyGQIOJOQMTJEMAY-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.54
Rot. Bonds5

About N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide

N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide (PubChem CID 139348151) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide
PubChem CID139348151
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide
SMILESCOc1cccc(F)c1CC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C20H23FN2O3/c1-20(2,3)23-19(25)13-7-5-8-14(11-13)22-18(24)12-15-16(21)9-6-10-17(15)26-4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyGQIOJOQMTJEMAY-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide
CID 139348508
N-tert-butyl-3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]benzamide
CID 78890966
N-tert-butyl-3-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 9323551
N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide
CID 87006551
N-tert-butyl-3-[[2-[3-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844392
N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide
CID 167263462
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-tert-butyl-3,5-bis[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 2901481
N-(3-acetylphenyl)-2-(2-methoxyphenyl)acetamide
CID 2711452
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide (CID 139348151) is N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide is COc1cccc(F)c1CC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide?
The InChIKey is GQIOJOQMTJEMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-20(2,3)23-19(25)13-7-5-8-14(11-13)22-18(24)12-15-16(21)9-6-10-17(15)26-4/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide?
N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide has a molecular weight of 358.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(2-fluoro-6-methoxyphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 139348151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).