N-tert-butyl-4-(2-fluoroethoxy)benzamide

C13H18FNO2 — CID 130197731

IUPACN-tert-butyl-4-(2-fluoroethoxy)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C13H18FNO2/c1-13(2,3)15-12(16)10-4-6-11(7-5-10)17-9-8-14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyILMKIOKPWQXHJD-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.56
Rot. Bonds4

About N-tert-butyl-4-(2-fluoroethoxy)benzamide

N-tert-butyl-4-(2-fluoroethoxy)benzamide (PubChem CID 130197731) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-tert-butyl-4-(2-fluoroethoxy)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-fluoroethoxy)benzamide
PubChem CID130197731
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-tert-butyl-4-(2-fluoroethoxy)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(OCCF)cc1
InChIInChI=1S/C13H18FNO2/c1-13(2,3)15-12(16)10-4-6-11(7-5-10)17-9-8-14/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKeyILMKIOKPWQXHJD-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butoxy-N-tert-butylbenzamide
CID 60643031
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide
CID 71812247
N-(1-amino-2-methylpropan-2-yl)-4-(2-methoxyethoxy)benzamide
CID 119523172
N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 134534514
2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid
CID 75383535
4-[2-(aminomethyl)-3-chloroprop-2-enoxy]-N-tert-butylbenzamide
CID 123775448
[2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium
CID 148846324
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
CID 103933503
N-(1-amino-2-methylpropan-2-yl)-4-pentoxybenzamide
CID 119524229
N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide
CID 64550930
methyl 2-[(4-butoxybenzoyl)amino]-2-methylpropanoate
CID 31922159
N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834708

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-fluoroethoxy)benzamide?
The IUPAC name of N-tert-butyl-4-(2-fluoroethoxy)benzamide (CID 130197731) is N-tert-butyl-4-(2-fluoroethoxy)benzamide.
What is the SMILES notation for N-tert-butyl-4-(2-fluoroethoxy)benzamide?
The canonical SMILES for N-tert-butyl-4-(2-fluoroethoxy)benzamide is CC(C)(C)NC(=O)c1ccc(OCCF)cc1.
What is the InChIKey of N-tert-butyl-4-(2-fluoroethoxy)benzamide?
The InChIKey is ILMKIOKPWQXHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(2,3)15-12(16)10-4-6-11(7-5-10)17-9-8-14/h4-7H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-tert-butyl-4-(2-fluoroethoxy)benzamide?
N-tert-butyl-4-(2-fluoroethoxy)benzamide has a molecular weight of 239.29 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-fluoroethoxy)benzamide is sourced from PubChem (CID 130197731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).