3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride

C21H20ClFN2O — CID 68604070

IUPAC3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2ccc(CNCc3ccccc3F)cc2)c1
InChIInChI=1S/C21H19FN2O.ClH/c22-20-7-2-1-4-19(20)14-24-13-15-8-10-16(11-9-15)17-5-3-6-18(12-17)21(23)25;/h1-12,24H,13-14H2,(H2,23,25);1H
InChIKeyHTUMKORCEJIVDE-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.30
Rot. Bonds6

About 3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride

3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride (PubChem CID 68604070) has the molecular formula C21H20ClFN2O and a molecular weight of 370.86 g/mol. Its IUPAC name is 3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride
PubChem CID68604070
Molecular FormulaC21H20ClFN2O
Molecular Weight370.86 g/mol
Exact Mass370.12
IUPAC Name3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(-c2ccc(CNCc3ccccc3F)cc2)c1
InChIInChI=1S/C21H19FN2O.ClH/c22-20-7-2-1-4-19(20)14-24-13-15-8-10-16(11-9-15)17-5-3-6-18(12-17)21(23)25;/h1-12,24H,13-14H2,(H2,23,25);1H
InChIKeyHTUMKORCEJIVDE-UHFFFAOYSA-N
XLogP4.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
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CID 61401068
3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
3-[[(3-chloro-4-fluorophenyl)methylamino]methyl]-4-fluorobenzamide
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3-[4-[2-[(4-methylphenyl)methylamino]ethoxy]phenyl]benzamide;2,2,2-trifluoroacetic acid
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CID 43426770

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride?
The IUPAC name of 3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride (CID 68604070) is 3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride is Cl.NC(=O)c1cccc(-c2ccc(CNCc3ccccc3F)cc2)c1.
What is the InChIKey of 3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride?
The InChIKey is HTUMKORCEJIVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O.ClH/c22-20-7-2-1-4-19(20)14-24-13-15-8-10-16(11-9-15)17-5-3-6-18(12-17)21(23)25;/h1-12,24H,13-14H2,(H2,23,25);1H.
What are the key properties of 3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride?
3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride has a molecular weight of 370.86 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(2-fluorophenyl)methylamino]methyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 68604070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).