5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide

C13H15ClFNO — CID 60724229

IUPAC5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFNO/c1-8(9-3-4-9)16(2)13(17)11-7-10(14)5-6-12(11)15/h5-9H,3-4H2,1-2H3
InChIKeyFCEJNQIYJBQFDC-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.35
Rot. Bonds3

About 5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide

5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide (PubChem CID 60724229) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
PubChem CID60724229
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFNO/c1-8(9-3-4-9)16(2)13(17)11-7-10(14)5-6-12(11)15/h5-9H,3-4H2,1-2H3
InChIKeyFCEJNQIYJBQFDC-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide (CID 60724229) is 5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide is CC(C1CC1)N(C)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide?
The InChIKey is FCEJNQIYJBQFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-8(9-3-4-9)16(2)13(17)11-7-10(14)5-6-12(11)15/h5-9H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide?
5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide has a molecular weight of 255.72 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 60724229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).