3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide

C14H19FN2O — CID 120501299

IUPAC3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC1(c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-9(10(2)16)13(18)17-14(7-8-14)11-5-3-4-6-12(11)15/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyKFXHWTWTKGZJOX-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.91
Rot. Bonds4

About 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide

3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide (PubChem CID 120501299) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide
PubChem CID120501299
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC1(c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-9(10(2)16)13(18)17-14(7-8-14)11-5-3-4-6-12(11)15/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyKFXHWTWTKGZJOX-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide (CID 120501299) is 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide is CC(N)C(C)C(=O)NC1(c2ccccc2F)CC1.
What is the InChIKey of 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide?
The InChIKey is KFXHWTWTKGZJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9(10(2)16)13(18)17-14(7-8-14)11-5-3-4-6-12(11)15/h3-6,9-10H,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide?
3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide has a molecular weight of 250.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluorophenyl)cyclopropyl]-2-methylbutanamide is sourced from PubChem (CID 120501299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).