3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide

C13H15ClFNO2 — CID 110875849

IUPAC3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCN(CC1CCOC1)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFNO2/c1-16(7-9-4-5-18-8-9)13(17)10-2-3-12(15)11(14)6-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyLNXQVADLKJAZPW-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.59
Rot. Bonds3

About 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide

3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 110875849) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID110875849
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide
SMILESCN(CC1CCOC1)C(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFNO2/c1-16(7-9-4-5-18-8-9)13(17)10-2-3-12(15)11(14)6-10/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyLNXQVADLKJAZPW-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(2-Chloro-4-fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
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Ethyl 1-(3-chlorobenzoyl)azepane-4-carboxylate
CID 46948191
3-chloro-4-fluoro-N-propyl-N-(tetrahydro-3-furanylmethyl)benzamide
CID 91915468
5-Chloro-2-fluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzamide
CID 91915473
2,6-Difluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzamide
CID 91915475
N-[(Oxolan-3-YL)methyl]-N-propyl-4-(trifluoromethyl)benzamide
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CID 110752428

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide (CID 110875849) is 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide is CN(CC1CCOC1)C(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is LNXQVADLKJAZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-16(7-9-4-5-18-8-9)13(17)10-2-3-12(15)11(14)6-10/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide?
3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 271.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 110875849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).