N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide

C11H15FN2O2 — CID 145467542

IUPACN-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide
SMILESCOC(c1ccc(NC=O)cc1)C(N)CF
InChIInChI=1S/C11H15FN2O2/c1-16-11(10(13)6-12)8-2-4-9(5-3-8)14-7-15/h2-5,7,10-11H,6,13H2,1H3,(H,14,15)
InChIKeySMHUDTFHUUNFLH-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.24
Rot. Bonds6

About N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide

N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide (PubChem CID 145467542) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide
PubChem CID145467542
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide
SMILESCOC(c1ccc(NC=O)cc1)C(N)CF
InChIInChI=1S/C11H15FN2O2/c1-16-11(10(13)6-12)8-2-4-9(5-3-8)14-7-15/h2-5,7,10-11H,6,13H2,1H3,(H,14,15)
InChIKeySMHUDTFHUUNFLH-UHFFFAOYSA-N
XLogP1.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide?
The IUPAC name of N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide (CID 145467542) is N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide.
What is the SMILES notation for N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide?
The canonical SMILES for N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide is COC(c1ccc(NC=O)cc1)C(N)CF.
What is the InChIKey of N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide?
The InChIKey is SMHUDTFHUUNFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-16-11(10(13)6-12)8-2-4-9(5-3-8)14-7-15/h2-5,7,10-11H,6,13H2,1H3,(H,14,15).
What are the key properties of N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide?
N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide has a molecular weight of 226.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]formamide is sourced from PubChem (CID 145467542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).