4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide

C17H16ClFN2O2 — CID 53251575

IUPAC4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H16ClFN2O2/c18-12-3-6-14(15(19)9-12)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h1-6,9,16,20H,7-8,10H2,(H,21,22)
InChIKeySPNPZNALXUUIRV-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.39
Rot. Bonds3

About 4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide

4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide (PubChem CID 53251575) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide
PubChem CID53251575
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C17H16ClFN2O2/c18-12-3-6-14(15(19)9-12)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h1-6,9,16,20H,7-8,10H2,(H,21,22)
InChIKeySPNPZNALXUUIRV-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide (CID 53251575) is 4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide?
The InChIKey is SPNPZNALXUUIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-12-3-6-14(15(19)9-12)17(22)21-13-4-1-11(2-5-13)16-10-20-7-8-23-16/h1-6,9,16,20H,7-8,10H2,(H,21,22).
What are the key properties of 4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide?
4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide has a molecular weight of 334.78 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(4-morpholin-2-ylphenyl)benzamide is sourced from PubChem (CID 53251575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).