2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide

C14H19ClN2O2 — CID 112633806

IUPAC2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC2CC(O)C2(C)C)ccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-14(2)11(7-12(14)18)17-8-4-5-10(15)9(6-8)13(19)16-3/h4-6,11-12,17-18H,7H2,1-3H3,(H,16,19)
InChIKeyLPQSABVOLJDALB-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.27
Rot. Bonds3

About 2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide

2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide (PubChem CID 112633806) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide
PubChem CID112633806
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(NC2CC(O)C2(C)C)ccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-14(2)11(7-12(14)18)17-8-4-5-10(15)9(6-8)13(19)16-3/h4-6,11-12,17-18H,7H2,1-3H3,(H,16,19)
InChIKeyLPQSABVOLJDALB-UHFFFAOYSA-N
XLogP2.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide
CID 65083154
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide
CID 60936196
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
3-(3-bromo-4-fluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 115977942
N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 115972221
N-[2-fluoro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]phenyl]acetamide
CID 112633780
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide
CID 112633693
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
3-(3-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628749
5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 112633246
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
CID 114631389

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide?
The IUPAC name of 2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide (CID 112633806) is 2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide?
The canonical SMILES for 2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide is CNC(=O)c1cc(NC2CC(O)C2(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide?
The InChIKey is LPQSABVOLJDALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(2)11(7-12(14)18)17-8-4-5-10(15)9(6-8)13(19)16-3/h4-6,11-12,17-18H,7H2,1-3H3,(H,16,19).
What are the key properties of 2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide?
2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide has a molecular weight of 282.77 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide is sourced from PubChem (CID 112633806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).