5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide

C14H17ClFNO2 — CID 103742326

IUPAC5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(Cl)ccc2F)C1(C)C
InChIInChI=1S/C14H17ClFNO2/c1-14(2)11(7-12(14)19-3)17-13(18)9-6-8(15)4-5-10(9)16/h4-6,11-12H,7H2,1-3H3,(H,17,18)
InChIKeyYUTWPJMDNKIYSS-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.02
Rot. Bonds3

About 5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide

5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (PubChem CID 103742326) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
PubChem CID103742326
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(Cl)ccc2F)C1(C)C
InChIInChI=1S/C14H17ClFNO2/c1-14(2)11(7-12(14)19-3)17-13(18)9-6-8(15)4-5-10(9)16/h4-6,11-12H,7H2,1-3H3,(H,17,18)
InChIKeyYUTWPJMDNKIYSS-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
CID 61217679
4-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103742275
5-bromo-N-(3-methoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 113252943
2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)-4-nitrobenzamide
CID 103742297
2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252946
5-chloro-2-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 103082452
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
2-bromo-6-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252929
5-bromo-2-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742313
2-bromo-5-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103990210
4-iodo-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 103742295
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide (CID 103742326) is 5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is COC1CC(NC(=O)c2cc(Cl)ccc2F)C1(C)C.
What is the InChIKey of 5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
The InChIKey is YUTWPJMDNKIYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-14(2)11(7-12(14)19-3)17-13(18)9-6-8(15)4-5-10(9)16/h4-6,11-12H,7H2,1-3H3,(H,17,18).
What are the key properties of 5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide?
5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide has a molecular weight of 285.75 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide is sourced from PubChem (CID 103742326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).