4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide

C14H18ClNO2 — CID 114631389

IUPAC4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CC(O)C2(C)C)ccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-8-6-9(4-5-10(8)15)13(18)16-11-7-12(17)14(11,2)3/h4-6,11-12,17H,7H2,1-3H3,(H,16,18)
InChIKeyVQGMSPGWRMBLKN-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.54
Rot. Bonds2

About 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide

4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide (PubChem CID 114631389) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
PubChem CID114631389
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CC(O)C2(C)C)ccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-8-6-9(4-5-10(8)15)13(18)16-11-7-12(17)14(11,2)3/h4-6,11-12,17H,7H2,1-3H3,(H,16,18)
InChIKeyVQGMSPGWRMBLKN-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
3-bromo-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 104956529
5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629364
3,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 114629332
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methoxybenzamide
CID 114629941
N-(3-hydroxy-2,2-dimethylcyclobutyl)-6-oxopyran-3-carboxamide
CID 114631311
3,5-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-iodobenzamide
CID 114630703
4-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114629766
4-chloro-N-(2-chlorocyclopentyl)-3-methylbenzamide
CID 106444087
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(methylsulfanylmethyl)benzamide
CID 114630906
2-bromo-N-[(1S,3R)-3-hydroxy-2,2-dimethylcyclobutyl]-5-methylbenzamide
CID 129381319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide?
The IUPAC name of 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide (CID 114631389) is 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide is Cc1cc(C(=O)NC2CC(O)C2(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide?
The InChIKey is VQGMSPGWRMBLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-8-6-9(4-5-10(8)15)13(18)16-11-7-12(17)14(11,2)3/h4-6,11-12,17H,7H2,1-3H3,(H,16,18).
What are the key properties of 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide?
4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide has a molecular weight of 267.76 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbenzamide is sourced from PubChem (CID 114631389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).