N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide

C22H25FN2O3 — CID 55890047

IUPACN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(F)c1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H25FN2O3/c23-20-14-17(7-10-21(20)25-11-1-2-12-25)24-22(26)16-5-8-18(9-6-16)28-15-19-4-3-13-27-19/h5-10,14,19H,1-4,11-13,15H2,(H,24,26)
InChIKeyJMVYCOMZWWIXRJ-UHFFFAOYSA-N
MW384.45 g/mol
LogP4.24
Rot. Bonds6

About N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 55890047) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID55890047
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(F)c1)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H25FN2O3/c23-20-14-17(7-10-21(20)25-11-1-2-12-25)24-22(26)16-5-8-18(9-6-16)28-15-19-4-3-13-27-19/h5-10,14,19H,1-4,11-13,15H2,(H,24,26)
InChIKeyJMVYCOMZWWIXRJ-UHFFFAOYSA-N
XLogP4.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94167086
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 16580872
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-[4-(difluoromethylsulfanyl)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43011380

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 55890047) is N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1ccc(N2CCCC2)c(F)c1)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is JMVYCOMZWWIXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c23-20-14-17(7-10-21(20)25-11-1-2-12-25)24-22(26)16-5-8-18(9-6-16)28-15-19-4-3-13-27-19/h5-10,14,19H,1-4,11-13,15H2,(H,24,26).
What are the key properties of N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 384.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 55890047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).