N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide

C16H23ClN2O2 — CID 79698778

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C16H23ClN2O2/c1-15(2)13(18)16(3,4)14(15)19-12(20)10-8-9(17)6-7-11(10)21-5/h6-8,13-14H,18H2,1-5H3,(H,19,20)
InChIKeyBYVSXINSOLXSGY-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.84
Rot. Bonds3

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide (PubChem CID 79698778) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide
PubChem CID79698778
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C16H23ClN2O2/c1-15(2)13(18)16(3,4)14(15)19-12(20)10-8-9(17)6-7-11(10)21-5/h6-8,13-14H,18H2,1-5H3,(H,19,20)
InChIKeyBYVSXINSOLXSGY-UHFFFAOYSA-N
XLogP2.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopropyl)-5-chloro-2-methoxybenzamide
CID 43593837
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoro-4-methoxybenzamide
CID 79698755
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-hydroxy-4-methoxybenzamide
CID 79735299
5-chloro-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 848313
N-[3-(4-bromophenyl)-2,2-dimethylcyclopropyl]-5-chloro-2-methoxybenzamide
CID 68582335
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
CID 79710945
5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide
CID 25222733
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
N-[(3R)-3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]-2-methoxy-5-methylbenzamide
CID 143783759
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide (CID 79698778) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC1C(C)(C)C(N)C1(C)C.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide?
The InChIKey is BYVSXINSOLXSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-15(2)13(18)16(3,4)14(15)19-12(20)10-8-9(17)6-7-11(10)21-5/h6-8,13-14H,18H2,1-5H3,(H,19,20).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide has a molecular weight of 310.83 g/mol, XLogP of 2.84, 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)-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 79698778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).