3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide

C18H20FN2O2+ — CID 6949966

IUPAC3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O2/c19-16-3-1-2-15(12-16)18(22)20-17-6-4-14(5-7-17)13-21-8-10-23-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)/p+1
InChIKeyCIPVTEGHZRBICN-UHFFFAOYSA-O
MW315.37 g/mol
LogP1.49
Rot. Bonds4

About 3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide

3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide (PubChem CID 6949966) has the molecular formula C18H20FN2O2+ and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
PubChem CID6949966
Molecular FormulaC18H20FN2O2+
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O2/c19-16-3-1-2-15(12-16)18(22)20-17-6-4-14(5-7-17)13-21-8-10-23-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)/p+1
InChIKeyCIPVTEGHZRBICN-UHFFFAOYSA-O
XLogP1.49
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]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

N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
N-(3-acetamidophenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7393123
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396
N-[4-(difluoromethoxy)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 9046550
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
3-fluoro-N-(4-propylphenyl)benzamide
CID 26178121
4-(morpholin-4-ium-4-ylmethyl)-N-(4-prop-2-enoxyphenyl)benzamide
CID 7372335
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644
diethyl-[[4-[(3-fluorobenzoyl)amino]phenyl]methyl]azanium
CID 7470003
3-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957194
4-[(2R)-butan-2-yl]oxy-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6958043
1-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]indole-2-carboxamide
CID 7327969

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide (CID 6949966) is 3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The InChIKey is CIPVTEGHZRBICN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19FN2O2/c19-16-3-1-2-15(12-16)18(22)20-17-6-4-14(5-7-17)13-21-8-10-23-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)/p+1.
What are the key properties of 3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 6949966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).