3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide

C20H22FN3O3 — CID 48581644

IUPAC3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H22FN3O3/c21-17-3-1-2-16(14-17)20(26)23-18-6-4-15(5-7-18)19(25)22-8-9-24-10-12-27-13-11-24/h1-7,14H,8-13H2,(H,22,25)(H,23,26)
InChIKeyCCXSORMTDLTVJU-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.14
Rot. Bonds6

About 3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide

3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide (PubChem CID 48581644) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
PubChem CID48581644
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(NC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C20H22FN3O3/c21-17-3-1-2-16(14-17)20(26)23-18-6-4-15(5-7-18)19(25)22-8-9-24-10-12-27-13-11-24/h1-7,14H,8-13H2,(H,22,25)(H,23,26)
InChIKeyCCXSORMTDLTVJU-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
4-N-(2,4-difluorophenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045931
2-(dimethylamino)-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 42747418
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
3-bromo-N-(2-morpholin-4-ylethyl)benzamide
CID 669309
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42751478
N-(3-fluorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 674229
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 25390449
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide (CID 48581644) is 3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide is O=C(NCCN1CCOCC1)c1ccc(NC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of 3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
The InChIKey is CCXSORMTDLTVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-17-3-1-2-16(14-17)20(26)23-18-6-4-15(5-7-18)19(25)22-8-9-24-10-12-27-13-11-24/h1-7,14H,8-13H2,(H,22,25)(H,23,26).
What are the key properties of 3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide has a molecular weight of 371.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 48581644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).