5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide

C19H25FN2O2 — CID 118304167

IUPAC5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1cc(C2CC2NCC2CC2)ccc1F
InChIInChI=1S/C19H25FN2O2/c20-17-4-3-13(15-10-18(15)21-11-12-1-2-12)9-16(17)19(23)22-14-5-7-24-8-6-14/h3-4,9,12,14-15,18,21H,1-2,5-8,10-11H2,(H,22,23)
InChIKeyHXFTYFMDEKTIAO-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.59
Rot. Bonds6

About 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide

5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide (PubChem CID 118304167) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide
PubChem CID118304167
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1cc(C2CC2NCC2CC2)ccc1F
InChIInChI=1S/C19H25FN2O2/c20-17-4-3-13(15-10-18(15)21-11-12-1-2-12)9-16(17)19(23)22-14-5-7-24-8-6-14/h3-4,9,12,14-15,18,21H,1-2,5-8,10-11H2,(H,22,23)
InChIKeyHXFTYFMDEKTIAO-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide?
The IUPAC name of 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide (CID 118304167) is 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide?
The canonical SMILES for 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1cc(C2CC2NCC2CC2)ccc1F.
What is the InChIKey of 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide?
The InChIKey is HXFTYFMDEKTIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-17-4-3-13(15-10-18(15)21-11-12-1-2-12)9-16(17)19(23)22-14-5-7-24-8-6-14/h3-4,9,12,14-15,18,21H,1-2,5-8,10-11H2,(H,22,23).
What are the key properties of 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide?
5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide has a molecular weight of 332.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethylamino)cyclopropyl]-2-fluoro-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 118304167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).