N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide

C19H19FN2O3 — CID 16625912

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(CNC(=O)c1ccccc1OCc1ccc(F)cc1)NC1CC1
InChIInChI=1S/C19H19FN2O3/c20-14-7-5-13(6-8-14)12-25-17-4-2-1-3-16(17)19(24)21-11-18(23)22-15-9-10-15/h1-8,15H,9-12H2,(H,21,24)(H,22,23)
InChIKeyXIBSJUMFBVMPCH-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide

N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 16625912) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID16625912
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
SMILESO=C(CNC(=O)c1ccccc1OCc1ccc(F)cc1)NC1CC1
InChIInChI=1S/C19H19FN2O3/c20-14-7-5-13(6-8-14)12-25-17-4-2-1-3-16(17)19(24)21-11-18(23)22-15-9-10-15/h1-8,15H,9-12H2,(H,21,24)(H,22,23)
InChIKeyXIBSJUMFBVMPCH-UHFFFAOYSA-N
XLogP2.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide (CID 16625912) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide is O=C(CNC(=O)c1ccccc1OCc1ccc(F)cc1)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is XIBSJUMFBVMPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-14-7-5-13(6-8-14)12-25-17-4-2-1-3-16(17)19(24)21-11-18(23)22-15-9-10-15/h1-8,15H,9-12H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 342.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 16625912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).