2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide

C22H20ClFN2O — CID 31563304

IUPAC2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNCCc2cccc(F)c2)c1)c1ccccc1Cl
InChIInChI=1S/C22H20ClFN2O/c23-21-10-2-1-9-20(21)22(27)26-19-8-4-6-17(14-19)15-25-12-11-16-5-3-7-18(24)13-16/h1-10,13-14,25H,11-12,15H2,(H,26,27)
InChIKeyFRVKVERKHGLQPQ-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.06
Rot. Bonds7

About 2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide

2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide (PubChem CID 31563304) has the molecular formula C22H20ClFN2O and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide
PubChem CID31563304
Molecular FormulaC22H20ClFN2O
Molecular Weight382.87 g/mol
Exact Mass382.12
IUPAC Name2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide
SMILESO=C(Nc1cccc(CNCCc2cccc(F)c2)c1)c1ccccc1Cl
InChIInChI=1S/C22H20ClFN2O/c23-21-10-2-1-9-20(21)22(27)26-19-8-4-6-17(14-19)15-25-12-11-16-5-3-7-18(24)13-16/h1-10,13-14,25H,11-12,15H2,(H,26,27)
InChIKeyFRVKVERKHGLQPQ-UHFFFAOYSA-N
XLogP5.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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2,3-dichloro-N-(3-fluorophenyl)benzamide
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2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
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N-[3-[[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]-2-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide (CID 31563304) is 2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide is O=C(Nc1cccc(CNCCc2cccc(F)c2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide?
The InChIKey is FRVKVERKHGLQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O/c23-21-10-2-1-9-20(21)22(27)26-19-8-4-6-17(14-19)15-25-12-11-16-5-3-7-18(24)13-16/h1-10,13-14,25H,11-12,15H2,(H,26,27).
What are the key properties of 2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide?
2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide has a molecular weight of 382.87 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[2-(3-fluorophenyl)ethylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 31563304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).