N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide

C14H18FNO — CID 146590223

IUPACN-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide
SMILESCC(C)C(NC=O)c1ccc(C2CC2)c(F)c1
InChIInChI=1S/C14H18FNO/c1-9(2)14(16-8-17)11-5-6-12(10-3-4-10)13(15)7-11/h5-10,14H,3-4H2,1-2H3,(H,16,17)
InChIKeyISTJNNYKAOKRKH-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.15
Rot. Bonds5

About N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide

N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide (PubChem CID 146590223) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide.

Molecular Properties

Compound NameN-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide
PubChem CID146590223
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide
SMILESCC(C)C(NC=O)c1ccc(C2CC2)c(F)c1
InChIInChI=1S/C14H18FNO/c1-9(2)14(16-8-17)11-5-6-12(10-3-4-10)13(15)7-11/h5-10,14H,3-4H2,1-2H3,(H,16,17)
InChIKeyISTJNNYKAOKRKH-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide?
The IUPAC name of N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide (CID 146590223) is N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide.
What is the SMILES notation for N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide?
The canonical SMILES for N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide is CC(C)C(NC=O)c1ccc(C2CC2)c(F)c1.
What is the InChIKey of N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide?
The InChIKey is ISTJNNYKAOKRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-9(2)14(16-8-17)11-5-6-12(10-3-4-10)13(15)7-11/h5-10,14H,3-4H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide?
N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide has a molecular weight of 235.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopropyl-3-fluorophenyl)-2-methylpropyl]formamide is sourced from PubChem (CID 146590223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).