2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide

C16H15F2N3O2 — CID 51312310

IUPAC2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccccn1
InChIInChI=1S/C16H15F2N3O2/c17-11-6-7-12(13(18)10-11)16(23)20-9-3-5-15(22)21-14-4-1-2-8-19-14/h1-2,4,6-8,10H,3,5,9H2,(H,20,23)(H,19,21,22)
InChIKeyDDVXRWAXESYCIJ-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.51
Rot. Bonds6

About 2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide

2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide (PubChem CID 51312310) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
PubChem CID51312310
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
SMILESO=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccccn1
InChIInChI=1S/C16H15F2N3O2/c17-11-6-7-12(13(18)10-11)16(23)20-9-3-5-15(22)21-14-4-1-2-8-19-14/h1-2,4,6-8,10H,3,5,9H2,(H,20,23)(H,19,21,22)
InChIKeyDDVXRWAXESYCIJ-UHFFFAOYSA-N
XLogP2.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]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

2,4-difluoro-N-[4-oxo-4-[4-(phenylcarbamoylamino)anilino]butyl]benzamide
CID 30779997
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
N-[4-(3-bromoanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30448942
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
N-[4-(3,5-dimethylanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 78802707
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
N-[4-(3-chloroanilino)-4-oxobutyl]-2,4-difluorobenzamide
CID 30449515
2,4-difluoro-N-[4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butyl]benzamide
CID 29370798
2,4-difluoro-N-[4-oxo-4-[4-(triazol-2-yl)anilino]butyl]benzamide
CID 86998515
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide
CID 24648849
2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56585771

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide (CID 51312310) is 2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide is O=C(CCCNC(=O)c1ccc(F)cc1F)Nc1ccccn1.
What is the InChIKey of 2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide?
The InChIKey is DDVXRWAXESYCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-11-6-7-12(13(18)10-11)16(23)20-9-3-5-15(22)21-14-4-1-2-8-19-14/h1-2,4,6-8,10H,3,5,9H2,(H,20,23)(H,19,21,22).
What are the key properties of 2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide?
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide has a molecular weight of 319.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide is sourced from PubChem (CID 51312310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).