1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide

C16H23F2NO2 — CID 176935201

IUPAC1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide
SMILESCC(C)CCC(=O)NC=O.CCCc1cc(F)ccc1F
InChIInChI=1S/C9H10F2.C7H13NO2/c1-2-3-7-6-8(10)4-5-9(7)11;1-6(2)3-4-7(10)8-5-9/h4-6H,2-3H2,1H3;5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyGRSNSNDOIZQMIX-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.61
Rot. Bonds6

About 1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide

1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide (PubChem CID 176935201) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide.

Molecular Properties

Compound Name1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide
PubChem CID176935201
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide
SMILESCC(C)CCC(=O)NC=O.CCCc1cc(F)ccc1F
InChIInChI=1S/C9H10F2.C7H13NO2/c1-2-3-7-6-8(10)4-5-9(7)11;1-6(2)3-4-7(10)8-5-9/h4-6H,2-3H2,1H3;5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyGRSNSNDOIZQMIX-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2,5-difluorophenyl)propanoylamino]butanoic acid
CID 119223283
N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 71113752
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide
CID 170951735
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
4-[2-(2,5-difluorophenyl)ethylamino]butan-2-one
CID 115235909
N-[2-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 115726286
2-amino-N-[2-(2,5-difluorophenyl)ethyl]propanamide
CID 115152492
5-(4-fluorophenyl)-N-formylpentanamide
CID 145350810
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
5-[2-(2,5-difluorophenyl)ethylamino]pentan-2-one
CID 115236677

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide?
The IUPAC name of 1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide (CID 176935201) is 1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide.
What is the SMILES notation for 1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide?
The canonical SMILES for 1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide is CC(C)CCC(=O)NC=O.CCCc1cc(F)ccc1F.
What is the InChIKey of 1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide?
The InChIKey is GRSNSNDOIZQMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2.C7H13NO2/c1-2-3-7-6-8(10)4-5-9(7)11;1-6(2)3-4-7(10)8-5-9/h4-6H,2-3H2,1H3;5-6H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide?
1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide has a molecular weight of 299.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-propylbenzene;N-formyl-4-methylpentanamide is sourced from PubChem (CID 176935201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).