N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide

C18H20FNO2 — CID 2086520

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C18H20FNO2/c1-18(2,3)12-9-10-16(22-4)15(11-12)20-17(21)13-7-5-6-8-14(13)19/h5-11H,1-4H3,(H,20,21)
InChIKeyGAQTVNNYWFXGEH-UHFFFAOYSA-N
MW301.36 g/mol
LogP4.38
Rot. Bonds3

About N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide

N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide (PubChem CID 2086520) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
PubChem CID2086520
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C18H20FNO2/c1-18(2,3)12-9-10-16(22-4)15(11-12)20-17(21)13-7-5-6-8-14(13)19/h5-11H,1-4H3,(H,20,21)
InChIKeyGAQTVNNYWFXGEH-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 20604815
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide
CID 141024299
[2-(5-tert-butyl-2-methoxyanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2126349
N-(5-tert-butyl-2-methoxyphenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 18089488
3-bromo-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 2669093
N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide;3-hydroxy-N-(4-methylsulfanylphenyl)naphthalene-2-carboxamide
CID 161170935
3-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
CID 20604816
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide (CID 2086520) is N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide?
The InChIKey is GAQTVNNYWFXGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-18(2,3)12-9-10-16(22-4)15(11-12)20-17(21)13-7-5-6-8-14(13)19/h5-11H,1-4H3,(H,20,21).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide has a molecular weight of 301.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide is sourced from PubChem (CID 2086520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).