N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide

C17H16ClFN2O2 — CID 952445

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-13-4-5-16(21-6-8-23-9-7-21)15(11-13)20-17(22)12-2-1-3-14(19)10-12/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyVLQNAGGNUCZMSF-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.57
Rot. Bonds3

About N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide (PubChem CID 952445) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
PubChem CID952445
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-13-4-5-16(21-6-8-23-9-7-21)15(11-13)20-17(22)12-2-1-3-14(19)10-12/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyVLQNAGGNUCZMSF-UHFFFAOYSA-N
XLogP3.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400397
N-[5-chloro-2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-3-fluorobenzamide
CID 17066085
N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
3-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092337
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 113092691
2,4-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-5-fluorobenzamide
CID 55386691
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
CID 26207980
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide (CID 952445) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide is O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(F)c1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide?
The InChIKey is VLQNAGGNUCZMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-13-4-5-16(21-6-8-23-9-7-21)15(11-13)20-17(22)12-2-1-3-14(19)10-12/h1-5,10-11H,6-9H2,(H,20,22).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide has a molecular weight of 334.78 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 952445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).