4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide

C19H19FN3O2+ — CID 7380488

IUPAC4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1
InChIInChI=1S/C19H18FN3O2/c20-18-11-15(12-21)3-6-17(18)19(24)22-16-4-1-14(2-5-16)13-23-7-9-25-10-8-23/h1-6,11H,7-10,13H2,(H,22,24)/p+1
InChIKeyKRJGBKILPYJKSR-UHFFFAOYSA-O
MW340.38 g/mol
LogP1.36
Rot. Bonds4

About 4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide

4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide (PubChem CID 7380488) has the molecular formula C19H19FN3O2+ and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
PubChem CID7380488
Molecular FormulaC19H19FN3O2+
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1
InChIInChI=1S/C19H18FN3O2/c20-18-11-15(12-21)3-6-17(18)19(24)22-16-4-1-14(2-5-16)13-23-7-9-25-10-8-23/h1-6,11H,7-10,13H2,(H,22,24)/p+1
InChIKeyKRJGBKILPYJKSR-UHFFFAOYSA-O
XLogP1.36
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-cyano-2-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

4-cyano-N-[4-(diethylaminomethyl)phenyl]-2-fluorobenzamide
CID 959360
3-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide
CID 6949966
4-cyano-2-fluoro-N-(4-piperidin-1-ylphenyl)benzamide
CID 675546
4-cyano-N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 2995098
[4-[(4-cyano-2-fluorobenzoyl)amino]phenyl] acetate
CID 23881794
4-cyano-2-fluoro-N-[4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 17118267
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-cyano-2-fluorobenzamide
CID 3161433
N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]naphthalene-2-carboxamide
CID 6949963
ethyl 5-[(4-cyano-2-fluorobenzoyl)amino]-2-morpholin-4-ylbenzoate;hydrochloride
CID 163326553
4-cyano-2-fluoro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide
CID 1299535
4-cyano-2-fluoro-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 2996023
4-(morpholin-4-ium-4-ylmethyl)-N-(4-propan-2-ylphenyl)benzamide
CID 7500396

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide (CID 7380488) is 4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide is N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(F)c1.
What is the InChIKey of 4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
The InChIKey is KRJGBKILPYJKSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H18FN3O2/c20-18-11-15(12-21)3-6-17(18)19(24)22-16-4-1-14(2-5-16)13-23-7-9-25-10-8-23/h1-6,11H,7-10,13H2,(H,22,24)/p+1.
What are the key properties of 4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide?
4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide has a molecular weight of 340.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 7380488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).