3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide

C18H19FN2O2 — CID 17467075

IUPAC3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1F
InChIInChI=1S/C18H19FN2O2/c1-13-2-3-14(12-17(13)19)18(22)20-15-4-6-16(7-5-15)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyQQPFMODJYBUCSY-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.22
Rot. Bonds3

About 3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide

3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 17467075) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID17467075
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1F
InChIInChI=1S/C18H19FN2O2/c1-13-2-3-14(12-17(13)19)18(22)20-15-4-6-16(7-5-15)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyQQPFMODJYBUCSY-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51230349
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524291
4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide
CID 67112698
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100520064
3-fluoro-4-(3-methoxy-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 59672860
3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 174437444
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide (CID 17467075) is 3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is QQPFMODJYBUCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-2-3-14(12-17(13)19)18(22)20-15-4-6-16(7-5-15)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of 3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 314.36 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 17467075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).