5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide

C13H15ClFNO2 — CID 102610577

IUPAC5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
SMILESCCOC1CC(NC(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H15ClFNO2/c1-2-18-10-6-9(7-10)16-13(17)11-5-8(14)3-4-12(11)15/h3-5,9-10H,2,6-7H2,1H3,(H,16,17)
InChIKeyOQZKKIUYHCYNRO-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.78
Rot. Bonds4

About 5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide

5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide (PubChem CID 102610577) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
PubChem CID102610577
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
SMILESCCOC1CC(NC(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C13H15ClFNO2/c1-2-18-10-6-9(7-10)16-13(17)11-5-8(14)3-4-12(11)15/h3-5,9-10H,2,6-7H2,1H3,(H,16,17)
InChIKeyOQZKKIUYHCYNRO-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 103082452
N-(2-amino-4-ethoxycyclobutyl)-5-chloro-2-fluorobenzamide
CID 66195304
2,5-dichloro-N-(3-ethoxycyclobutyl)pyridine-4-carboxamide
CID 102612131
3-bromo-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 106544991
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
CID 114118491
5-chloro-2-fluoro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103966065
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
(5-chloro-2-fluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61150797
6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
CID 102610570
5-chloro-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347776
5-chloro-N-(2,2-dimethylcyclopropyl)-2-fluorobenzamide
CID 61217679

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide (CID 102610577) is 5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide is CCOC1CC(NC(=O)c2cc(Cl)ccc2F)C1.
What is the InChIKey of 5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide?
The InChIKey is OQZKKIUYHCYNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-2-18-10-6-9(7-10)16-13(17)11-5-8(14)3-4-12(11)15/h3-5,9-10H,2,6-7H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide?
5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide has a molecular weight of 271.72 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide is sourced from PubChem (CID 102610577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).