4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide

C20H18FN3O — CID 113011864

IUPAC4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
SMILESCC(Nc1ccc(NC(=O)c2ccc(F)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H18FN3O/c1-14(15-5-3-2-4-6-15)23-19-12-11-18(13-22-19)24-20(25)16-7-9-17(21)10-8-16/h2-14H,1H3,(H,22,23)(H,24,25)
InChIKeyQMNXJWKOTRVLKT-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.65
Rot. Bonds5

About 4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide

4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide (PubChem CID 113011864) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
PubChem CID113011864
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
SMILESCC(Nc1ccc(NC(=O)c2ccc(F)cc2)cn1)c1ccccc1
InChIInChI=1S/C20H18FN3O/c1-14(15-5-3-2-4-6-15)23-19-12-11-18(13-22-19)24-20(25)16-7-9-17(21)10-8-16/h2-14H,1H3,(H,22,23)(H,24,25)
InChIKeyQMNXJWKOTRVLKT-UHFFFAOYSA-N
XLogP4.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256548
3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026825
2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011893
4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023565
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138
2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026793
ethyl N-[6-(1-phenylethylamino)-3-pyridinyl]carbamate
CID 113011907
N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156169
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide (CID 113011864) is 4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide is CC(Nc1ccc(NC(=O)c2ccc(F)cc2)cn1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide?
The InChIKey is QMNXJWKOTRVLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-14(15-5-3-2-4-6-15)23-19-12-11-18(13-22-19)24-20(25)16-7-9-17(21)10-8-16/h2-14H,1H3,(H,22,23)(H,24,25).
What are the key properties of 4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide?
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide has a molecular weight of 335.38 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113011864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).