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

C17H14F3N3O3 — CID 30457128

IUPAC2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H14F3N3O3/c18-10-5-6-12(14(20)9-10)16(25)21-8-7-15(24)22-23-17(26)11-3-1-2-4-13(11)19/h1-6,9H,7-8H2,(H,21,25)(H,22,24)(H,23,26)
InChIKeyCXKVIWRDPSHTKM-UHFFFAOYSA-N
MW365.31 g/mol
LogP1.68
Rot. Bonds5

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

2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 30457128) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
PubChem CID30457128
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NNC(=O)c1ccccc1F
InChIInChI=1S/C17H14F3N3O3/c18-10-5-6-12(14(20)9-10)16(25)21-8-7-15(24)22-23-17(26)11-3-1-2-4-13(11)19/h1-6,9H,7-8H2,(H,21,25)(H,22,24)(H,23,26)
InChIKeyCXKVIWRDPSHTKM-UHFFFAOYSA-N
XLogP1.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 35929500
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
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
N-[3-[2-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 30670029
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
2,4-difluoro-N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]benzamide
CID 30485549
N-[4-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 41483998
2,4-difluoro-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]benzamide
CID 51192536
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide (CID 30457128) is 2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1F)NNC(=O)c1ccccc1F.
What is the InChIKey of 2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is CXKVIWRDPSHTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c18-10-5-6-12(14(20)9-10)16(25)21-8-7-15(24)22-23-17(26)11-3-1-2-4-13(11)19/h1-6,9H,7-8H2,(H,21,25)(H,22,24)(H,23,26).
What are the key properties of 2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 365.31 g/mol, XLogP of 1.68, 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-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 30457128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).