N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide

C16H23FN2O2 — CID 79698755

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2C(C)(C)C(N)C2(C)C)cc1F
InChIInChI=1S/C16H23FN2O2/c1-15(2)13(18)16(3,4)14(15)19-12(20)9-6-7-11(21-5)10(17)8-9/h6-8,13-14H,18H2,1-5H3,(H,19,20)
InChIKeyXUHAGJUCCNZEDW-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.33
Rot. Bonds3

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide (PubChem CID 79698755) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide
PubChem CID79698755
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2C(C)(C)C(N)C2(C)C)cc1F
InChIInChI=1S/C16H23FN2O2/c1-15(2)13(18)16(3,4)14(15)19-12(20)9-6-7-11(21-5)10(17)8-9/h6-8,13-14H,18H2,1-5H3,(H,19,20)
InChIKeyXUHAGJUCCNZEDW-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-hydroxy-4-methoxybenzamide
CID 79735299
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide
CID 79698778
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide
CID 107728779
N-(2-aminocyclopentyl)-3-fluoro-4-methoxybenzamide
CID 63251639
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
CID 79710945
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476859
3-fluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxybenzamide
CID 111697126
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276396
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79698757
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide
CID 79711984

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide (CID 79698755) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC2C(C)(C)C(N)C2(C)C)cc1F.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide?
The InChIKey is XUHAGJUCCNZEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-15(2)13(18)16(3,4)14(15)19-12(20)9-6-7-11(21-5)10(17)8-9/h6-8,13-14H,18H2,1-5H3,(H,19,20).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide has a molecular weight of 294.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 79698755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).