2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide

C20H18FN3O — CID 113026793

IUPAC2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
SMILESCC(Nc1ccc(NC(=O)c2ccccc2F)nc1)c1ccccc1
InChIInChI=1S/C20H18FN3O/c1-14(15-7-3-2-4-8-15)23-16-11-12-19(22-13-16)24-20(25)17-9-5-6-10-18(17)21/h2-14,23H,1H3,(H,22,24,25)
InChIKeyPQHDASBEDTTZGD-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.65
Rot. Bonds5

About 2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide

2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide (PubChem CID 113026793) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
PubChem CID113026793
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
SMILESCC(Nc1ccc(NC(=O)c2ccccc2F)nc1)c1ccccc1
InChIInChI=1S/C20H18FN3O/c1-14(15-7-3-2-4-8-15)23-16-11-12-19(22-13-16)24-20(25)17-9-5-6-10-18(17)21/h2-14,23H,1H3,(H,22,24,25)
InChIKeyPQHDASBEDTTZGD-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

3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026825
N-[5-(butan-2-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113024232
N-[5-(tert-butylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113029972
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026778
4-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011864
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
2-chloro-6-fluoro-N-[6-(1-phenylethylamino)-3-pyridinyl]benzamide
CID 113011893
2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
2-fluoro-N-[5-(prop-2-enylamino)-2-pyridinyl]benzamide
CID 113023833

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide (CID 113026793) is 2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide is CC(Nc1ccc(NC(=O)c2ccccc2F)nc1)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide?
The InChIKey is PQHDASBEDTTZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-14(15-7-3-2-4-8-15)23-16-11-12-19(22-13-16)24-20(25)17-9-5-6-10-18(17)21/h2-14,23H,1H3,(H,22,24,25).
What are the key properties of 2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide?
2-fluoro-N-[5-(1-phenylethylamino)-2-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 2-fluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113026793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).