N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide

C28H24FN3O2 — CID 42859312

IUPACN-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
SMILESO=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)c1)NCc1cccnc1
InChIInChI=1S/C28H24FN3O2/c29-25-12-5-11-24(17-25)28(34)32(20-21-7-2-1-3-8-21)26-13-4-9-22(15-26)16-27(33)31-19-23-10-6-14-30-18-23/h1-15,17-18H,16,19-20H2,(H,31,33)
InChIKeyXGBREIKUHPPCEC-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.93
Rot. Bonds8

About N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide

N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide (PubChem CID 42859312) has the molecular formula C28H24FN3O2 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
PubChem CID42859312
Molecular FormulaC28H24FN3O2
Molecular Weight453.52 g/mol
Exact Mass453.19
IUPAC NameN-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
SMILESO=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)c1)NCc1cccnc1
InChIInChI=1S/C28H24FN3O2/c29-25-12-5-11-24(17-25)28(34)32(20-21-7-2-1-3-8-21)26-13-4-9-22(15-26)16-27(33)31-19-23-10-6-14-30-18-23/h1-15,17-18H,16,19-20H2,(H,31,33)
InChIKeyXGBREIKUHPPCEC-UHFFFAOYSA-N
XLogP4.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-fluoro-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 46046079
N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide
CID 42859313
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 46057164
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46045890
3-fluoro-N-[3-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42859475
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 46162461
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-(3-fluorophenyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360716
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056800
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide?
The IUPAC name of N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide (CID 42859312) is N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide?
The canonical SMILES for N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide is O=C(Cc1cccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)c1)NCc1cccnc1.
What is the InChIKey of N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide?
The InChIKey is XGBREIKUHPPCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O2/c29-25-12-5-11-24(17-25)28(34)32(20-21-7-2-1-3-8-21)26-13-4-9-22(15-26)16-27(33)31-19-23-10-6-14-30-18-23/h1-15,17-18H,16,19-20H2,(H,31,33).
What are the key properties of N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide?
N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide has a molecular weight of 453.52 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-fluoro-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 42859312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).