N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide

C17H15FN6O2 — CID 55812157

IUPACN-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C17H15FN6O2/c18-14-7-6-13(24-11-20-22-23-24)10-15(14)21-16(25)8-9-19-17(26)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,26)(H,21,25)
InChIKeyWADRSLGGKCVUMC-UHFFFAOYSA-N
MW354.35 g/mol
LogP1.56
Rot. Bonds6

About N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide

N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide (PubChem CID 55812157) has the molecular formula C17H15FN6O2 and a molecular weight of 354.35 g/mol. Its IUPAC name is N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
PubChem CID55812157
Molecular FormulaC17H15FN6O2
Molecular Weight354.35 g/mol
Exact Mass354.12
IUPAC NameN-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C17H15FN6O2/c18-14-7-6-13(24-11-20-22-23-24)10-15(14)21-16(25)8-9-19-17(26)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,26)(H,21,25)
InChIKeyWADRSLGGKCVUMC-UHFFFAOYSA-N
XLogP1.56
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3,3-diphenylpropanamide
CID 60556708
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
4-tert-butyl-N-[3-[2-methyl-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide
CID 55780761
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55991992
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-[2-methyl-5-(tetrazol-1-yl)phenyl]benzamide
CID 60789520
2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide
CID 56514274
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide (CID 55812157) is N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide?
The InChIKey is WADRSLGGKCVUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2/c18-14-7-6-13(24-11-20-22-23-24)10-15(14)21-16(25)8-9-19-17(26)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,26)(H,21,25).
What are the key properties of N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide?
N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide has a molecular weight of 354.35 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55812157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).