N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide

C18H19FN2O2 — CID 113092681

IUPACN-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C18H19FN2O2/c1-13-4-2-3-5-15(13)18(22)20-16-12-14(19)6-7-17(16)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeySQBGFJHUTUKTDG-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.22
Rot. Bonds3

About N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide

N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide (PubChem CID 113092681) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
PubChem CID113092681
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C18H19FN2O2/c1-13-4-2-3-5-15(13)18(22)20-16-12-14(19)6-7-17(16)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeySQBGFJHUTUKTDG-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

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Related Compounds

3-[(2-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146053623
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 113092695
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
N-(5-fluoro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 113092678
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17173694
N-(5-bromo-2-morpholin-4-ylphenyl)-2,4-difluorobenzamide
CID 51182017
3-[(2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052916
N-(5-fluoro-2-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
CID 113092676
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide?
The IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide (CID 113092681) is N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide.
What is the SMILES notation for N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide?
The canonical SMILES for N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc(F)ccc1N1CCOCC1.
What is the InChIKey of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide?
The InChIKey is SQBGFJHUTUKTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-4-2-3-5-15(13)18(22)20-16-12-14(19)6-7-17(16)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide?
N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide 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 N-(5-fluoro-2-morpholin-4-ylphenyl)-2-methylbenzamide is sourced from PubChem (CID 113092681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).