N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide

C24H23FN2O2 — CID 56581470

IUPACN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide
SMILESO=C(Nc1c(F)cccc1N1CCCC1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C24H23FN2O2/c25-21-9-6-10-22(27-15-4-5-16-27)23(21)26-24(28)19-13-11-18(12-14-19)17-29-20-7-2-1-3-8-20/h1-3,6-14H,4-5,15-17H2,(H,26,28)
InChIKeyZDXWTNBNCUVIPF-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.26
Rot. Bonds6

About N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide (PubChem CID 56581470) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide
PubChem CID56581470
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC NameN-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide
SMILESO=C(Nc1c(F)cccc1N1CCCC1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C24H23FN2O2/c25-21-9-6-10-22(27-15-4-5-16-27)23(21)26-24(28)19-13-11-18(12-14-19)17-29-20-7-2-1-3-8-20/h1-3,6-14H,4-5,15-17H2,(H,26,28)
InChIKeyZDXWTNBNCUVIPF-UHFFFAOYSA-N
XLogP5.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-(2-fluoro-6-pyrrolidin-1-ylphenyl)benzamide
CID 119872678
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 56581466
4-phenylmethoxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2066084
2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
CID 4875820
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1H-indole-5-carboxamide
CID 122135434
N-[3-(2-fluoro-6-pyrrolidin-1-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
CID 56581398
N-[(2-morpholin-4-ylphenyl)carbamothioyl]-4-(phenoxymethyl)benzamide
CID 1312311
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-2-methylsulfanylbenzamide
CID 122135045
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-phenylmethoxybenzamide
CID 7085446
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide (CID 56581470) is N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide is O=C(Nc1c(F)cccc1N1CCCC1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide?
The InChIKey is ZDXWTNBNCUVIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-21-9-6-10-22(27-15-4-5-16-27)23(21)26-24(28)19-13-11-18(12-14-19)17-29-20-7-2-1-3-8-20/h1-3,6-14H,4-5,15-17H2,(H,26,28).
What are the key properties of N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide?
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 56581470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).