N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide

C21H17ClFN3O2 — CID 50844256

IUPACN-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide
SMILESCCC(=O)Nc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)nc1
InChIInChI=1S/C21H17ClFN3O2/c1-2-20(27)25-16-8-10-18(24-12-16)13-3-5-14(6-4-13)21(28)26-19-9-7-15(23)11-17(19)22/h3-12H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyQSTWIUUZDGQAGN-UHFFFAOYSA-N
MW397.84 g/mol
LogP5.14
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide

N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide (PubChem CID 50844256) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide
PubChem CID50844256
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide
SMILESCCC(=O)Nc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)nc1
InChIInChI=1S/C21H17ClFN3O2/c1-2-20(27)25-16-8-10-18(24-12-16)13-3-5-14(6-4-13)21(28)26-19-9-7-15(23)11-17(19)22/h3-12H,2H2,1H3,(H,25,27)(H,26,28)
InChIKeyQSTWIUUZDGQAGN-UHFFFAOYSA-N
XLogP5.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.84
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
6-amino-N-(2-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 62155431
N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 11304509
N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide
CID 160672212
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethylbenzamide
CID 2995153
5-chloro-N-(2-chloro-4-fluorophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62166998
N-(2-chloro-4-fluorophenyl)-3,4-difluorobenzamide
CID 30431388
N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
CID 2991219
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 40719319
5-(2-chloro-4-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62964348
N-[4-(5-benzamido-2-pyridinyl)phenyl]benzamide
CID 86766305
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide (CID 50844256) is N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide is CCC(=O)Nc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2)nc1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide?
The InChIKey is QSTWIUUZDGQAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c1-2-20(27)25-16-8-10-18(24-12-16)13-3-5-14(6-4-13)21(28)26-19-9-7-15(23)11-17(19)22/h3-12H,2H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide?
N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide has a molecular weight of 397.84 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-[5-(propanoylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 50844256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).