N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide

C13H15ClFNO2 — CID 107017040

IUPACN-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide
SMILESO=C(c1c(O)cccc1F)N(CCCl)C1CCC1
InChIInChI=1S/C13H15ClFNO2/c14-7-8-16(9-3-1-4-9)13(18)12-10(15)5-2-6-11(12)17/h2,5-6,9,17H,1,3-4,7-8H2
InChIKeyULKJACHXXIGMLB-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.76
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide

N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide (PubChem CID 107017040) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide
PubChem CID107017040
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide
SMILESO=C(c1c(O)cccc1F)N(CCCl)C1CCC1
InChIInChI=1S/C13H15ClFNO2/c14-7-8-16(9-3-1-4-9)13(18)12-10(15)5-2-6-11(12)17/h2,5-6,9,17H,1,3-4,7-8H2
InChIKeyULKJACHXXIGMLB-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-N-cyclopropyl-2-fluoro-6-hydroxybenzamide
CID 107012747
N-(2-chloroethyl)-N-cyclobutyl-2,3,4,5,6-pentafluorobenzamide
CID 102872717
3-chloro-N-(2-chloroethyl)-N-cyclobutyl-2-fluorobenzamide
CID 102872859
N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
CID 102872699
N-(2-chloroethyl)-N-cyclopropyl-3,5-difluorobenzamide
CID 63394666
N-(2-amino-2-oxoethyl)-2-fluoro-6-hydroxy-N-pyrrolidin-3-ylbenzamide
CID 107014678
N-(2-chloroethyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107728944
4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
CID 63391333
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide
CID 63636405

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide (CID 107017040) is N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide is O=C(c1c(O)cccc1F)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide?
The InChIKey is ULKJACHXXIGMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-7-8-16(9-3-1-4-9)13(18)12-10(15)5-2-6-11(12)17/h2,5-6,9,17H,1,3-4,7-8H2.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide?
N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide has a molecular weight of 271.72 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107017040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).