N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide

C15H21ClN2O — CID 79710945

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-14(2)12(17)15(3,4)13(14)18-11(19)9-5-7-10(16)8-6-9/h5-8,12-13H,17H2,1-4H3,(H,18,19)
InChIKeyWHXSRNZNMNQSCB-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.83
Rot. Bonds2

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide (PubChem CID 79710945) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
PubChem CID79710945
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O/c1-14(2)12(17)15(3,4)13(14)18-11(19)9-5-7-10(16)8-6-9/h5-8,12-13H,17H2,1-4H3,(H,18,19)
InChIKeyWHXSRNZNMNQSCB-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide
CID 79711984
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dihydroxybenzamide
CID 107728779
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide
CID 79698755
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide
CID 79698778
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79698757
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-hydroxy-4-methoxybenzamide
CID 79735299
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1H-indole-5-carboxamide
CID 79698493
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-2,5-difluorobenzamide
CID 82772635
N-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 79711659
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 104786251
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-bromopyridine-3-carboxamide
CID 79711416

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide (CID 79710945) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide is CC1(C)C(N)C(C)(C)C1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide?
The InChIKey is WHXSRNZNMNQSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-14(2)12(17)15(3,4)13(14)18-11(19)9-5-7-10(16)8-6-9/h5-8,12-13H,17H2,1-4H3,(H,18,19).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide has a molecular weight of 280.80 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide is sourced from PubChem (CID 79710945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).