N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide

C23H22FN3O2 — CID 153360624

IUPACN-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3cncc(F)c3)cc2)cc1
InChIInChI=1S/C23H22FN3O2/c1-3-22(28)27(2)21-10-8-18(9-11-21)17-4-6-19(7-5-17)23(29)26-14-16-12-20(24)15-25-13-16/h4-13,15H,3,14H2,1-2H3,(H,26,29)
InChIKeyZQBWZWMYVXHLQL-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.19
Rot. Bonds6

About N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide

N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide (PubChem CID 153360624) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide
PubChem CID153360624
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3cncc(F)c3)cc2)cc1
InChIInChI=1S/C23H22FN3O2/c1-3-22(28)27(2)21-10-8-18(9-11-21)17-4-6-19(7-5-17)23(29)26-14-16-12-20(24)15-25-13-16/h4-13,15H,3,14H2,1-2H3,(H,26,29)
InChIKeyZQBWZWMYVXHLQL-UHFFFAOYSA-N
XLogP4.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884723
N-[(6-methyl-2,3-dihydropyridin-5-yl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide
CID 153360798
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
N-[2-[(5-fluoro-3-pyridinyl)methylamino]ethyl]-4-methylbenzamide
CID 104953550
6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360908
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide
CID 164884754
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide
CID 153360818
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
4-(4-methylphenyl)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 90627855
N-[(3,4-difluorophenyl)methyl]-5-fluoropyridine-3-carboxamide
CID 140591693

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide (CID 153360624) is N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3cncc(F)c3)cc2)cc1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide?
The InChIKey is ZQBWZWMYVXHLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-3-22(28)27(2)21-10-8-18(9-11-21)17-4-6-19(7-5-17)23(29)26-14-16-12-20(24)15-25-13-16/h4-13,15H,3,14H2,1-2H3,(H,26,29).
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide?
N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide is sourced from PubChem (CID 153360624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).