4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide

C21H20FN3O — CID 94535067

IUPAC4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
SMILESC[C@@H](NCc1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN3O/c1-15(24-14-16-3-2-12-23-13-16)17-6-10-20(11-7-17)25-21(26)18-4-8-19(22)9-5-18/h2-13,15,24H,14H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeySIZDTNXPJGYTGQ-OAHLLOKOSA-N
MW349.41 g/mol
LogP4.32
Rot. Bonds6

About 4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide

4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide (PubChem CID 94535067) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
PubChem CID94535067
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
SMILESC[C@@H](NCc1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H20FN3O/c1-15(24-14-16-3-2-12-23-13-16)17-6-10-20(11-7-17)25-21(26)18-4-8-19(22)9-5-18/h2-13,15,24H,14H2,1H3,(H,25,26)/t15-/m1/s1
InChIKeySIZDTNXPJGYTGQ-OAHLLOKOSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
N-(4-fluorophenyl)-2-[[(1R)-1-pyridin-3-ylethyl]amino]acetamide
CID 81404886
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
N-phenyl-4-[(1-phenylethylamino)methyl]benzamide
CID 17476101
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
N-(4-fluorophenyl)pyridine-3-carboxamide;hydrochloride
CID 110756411
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
N-[(4-fluorophenyl)methyl]-4-(pyridin-3-ylmethylamino)benzamide
CID 51086157
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385
2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
CID 29039016

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide (CID 94535067) is 4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide is C[C@@H](NCc1cccnc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide?
The InChIKey is SIZDTNXPJGYTGQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15(24-14-16-3-2-12-23-13-16)17-6-10-20(11-7-17)25-21(26)18-4-8-19(22)9-5-18/h2-13,15,24H,14H2,1H3,(H,25,26)/t15-/m1/s1.
What are the key properties of 4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide?
4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide has a molecular weight of 349.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 94535067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).