N-(3-chloro-4-fluorophenyl)-2-methylpentanamide

C12H15ClFNO — CID 2905161

IUPACN-(3-chloro-4-fluorophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO/c1-3-4-8(2)12(16)15-9-5-6-11(14)10(13)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyQJOYKPASVOVSGN-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.85
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-methylpentanamide

N-(3-chloro-4-fluorophenyl)-2-methylpentanamide (PubChem CID 2905161) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methylpentanamide
PubChem CID2905161
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H15ClFNO/c1-3-4-8(2)12(16)15-9-5-6-11(14)10(13)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyQJOYKPASVOVSGN-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methylpentanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methylpentanamide (CID 2905161) is N-(3-chloro-4-fluorophenyl)-2-methylpentanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methylpentanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methylpentanamide?
The InChIKey is QJOYKPASVOVSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-3-4-8(2)12(16)15-9-5-6-11(14)10(13)7-9/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methylpentanamide?
N-(3-chloro-4-fluorophenyl)-2-methylpentanamide has a molecular weight of 243.71 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methylpentanamide is sourced from PubChem (CID 2905161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).