N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide

C21H18FN3O2 — CID 46386341

IUPACN-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
SMILESCCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C21H18FN3O2/c1-2-19(26)25-18-7-4-12-23-20(18)14-8-10-15(11-9-14)21(27)24-17-6-3-5-16(22)13-17/h3-13H,2H2,1H3,(H,24,27)(H,25,26)
InChIKeyZHPRJMXGHQRGJS-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.49
Rot. Bonds5

About N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide

N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide (PubChem CID 46386341) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
PubChem CID46386341
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC NameN-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
SMILESCCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C21H18FN3O2/c1-2-19(26)25-18-7-4-12-23-20(18)14-8-10-15(11-9-14)21(27)24-17-6-3-5-16(22)13-17/h3-13H,2H2,1H3,(H,24,27)(H,25,26)
InChIKeyZHPRJMXGHQRGJS-UHFFFAOYSA-N
XLogP4.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
CID 50829827
4-(3-acetamido-2-pyridinyl)-N-(3-chlorophenyl)benzamide
CID 46386362
N-(3-methylbutyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
CID 20973836
4-(3-chloro-2-pyridinyl)-N-[4-(3-fluorophenyl)phenyl]benzamide
CID 86100465
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 46386365
4-N-(2-fluorophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049881
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
CID 59673354

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide?
The IUPAC name of N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide (CID 46386341) is N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide is CCC(=O)Nc1cccnc1-c1ccc(C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide?
The InChIKey is ZHPRJMXGHQRGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-2-19(26)25-18-7-4-12-23-20(18)14-8-10-15(11-9-14)21(27)24-17-6-3-5-16(22)13-17/h3-13H,2H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide?
N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide has a molecular weight of 363.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 46386341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).