2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide

C16H14F2N2O3 — CID 51314532

IUPAC2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccccc1O
InChIInChI=1S/C16H14F2N2O3/c17-10-5-6-11(12(18)9-10)16(23)19-8-7-15(22)20-13-3-1-2-4-14(13)21/h1-6,9,21H,7-8H2,(H,19,23)(H,20,22)
InChIKeyNFERGIABOHXRIC-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.43
Rot. Bonds5

About 2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide

2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide (PubChem CID 51314532) has the molecular formula C16H14F2N2O3 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
PubChem CID51314532
Molecular FormulaC16H14F2N2O3
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccccc1O
InChIInChI=1S/C16H14F2N2O3/c17-10-5-6-11(12(18)9-10)16(23)19-8-7-15(22)20-13-3-1-2-4-14(13)21/h1-6,9,21H,7-8H2,(H,19,23)(H,20,22)
InChIKeyNFERGIABOHXRIC-UHFFFAOYSA-N
XLogP2.43
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]phenyl]pyrrolidine-1-carboxamide
CID 55736984
N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30670029
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2,4-difluorobenzoyl)amino]propanoate
CID 30316161
2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26811616
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
CID 30670553
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920
2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 18168568
2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
CID 42103921

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide (CID 51314532) is 2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1F)Nc1ccccc1O.
What is the InChIKey of 2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide?
The InChIKey is NFERGIABOHXRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3/c17-10-5-6-11(12(18)9-10)16(23)19-8-7-15(22)20-13-3-1-2-4-14(13)21/h1-6,9,21H,7-8H2,(H,19,23)(H,20,22).
What are the key properties of 2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide has a molecular weight of 320.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide is sourced from PubChem (CID 51314532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).