2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide

C18H15F3N6O2 — CID 56568481

IUPAC2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C18H15F3N6O2/c1-10-24-25-26-27(10)12-3-5-14(20)16(9-12)23-17(28)6-7-22-18(29)13-4-2-11(19)8-15(13)21/h2-5,8-9H,6-7H2,1H3,(H,22,29)(H,23,28)
InChIKeyZBQKDXFQKHITQK-UHFFFAOYSA-N
MW404.35 g/mol
LogP2.15
Rot. Bonds6

About 2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide

2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide (PubChem CID 56568481) has the molecular formula C18H15F3N6O2 and a molecular weight of 404.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide
PubChem CID56568481
Molecular FormulaC18H15F3N6O2
Molecular Weight404.35 g/mol
Exact Mass404.12
IUPAC Name2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1
InChIInChI=1S/C18H15F3N6O2/c1-10-24-25-26-27(10)12-3-5-14(20)16(9-12)23-17(28)6-7-22-18(29)13-4-2-11(19)8-15(13)21/h2-5,8-9H,6-7H2,1H3,(H,22,29)(H,23,28)
InChIKeyZBQKDXFQKHITQK-UHFFFAOYSA-N
XLogP2.15
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]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

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 56568611
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 56571773
2,4-difluoro-N-[3-(2-methyl-5-methylsulfonylanilino)-3-oxopropyl]benzamide
CID 26811616
2,4-difluoro-N-[4-(4-fluoro-2-methylanilino)-4-oxobutyl]benzamide
CID 30492931
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 56568252
2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
CID 34549994
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55812157
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
CID 30670553
(2S)-2-ethylsulfanyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3-methylbutanamide
CID 95616798
N-[1-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 56571805
N-[2-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]phenyl]pyrrolidine-1-carboxamide
CID 55736984

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide (CID 56568481) is 2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide is Cc1nnnn1-c1ccc(F)c(NC(=O)CCNC(=O)c2ccc(F)cc2F)c1.
What is the InChIKey of 2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide?
The InChIKey is ZBQKDXFQKHITQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2/c1-10-24-25-26-27(10)12-3-5-14(20)16(9-12)23-17(28)6-7-22-18(29)13-4-2-11(19)8-15(13)21/h2-5,8-9H,6-7H2,1H3,(H,22,29)(H,23,28).
What are the key properties of 2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide?
2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide has a molecular weight of 404.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 56568481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).