4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide

C18H17FN6O2 — CID 60537913

IUPAC4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)Cn1cnnn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN6O2/c1-12(21-17(26)10-25-11-20-23-24-25)13-4-8-16(9-5-13)22-18(27)14-2-6-15(19)7-3-14/h2-9,11-12H,10H2,1H3,(H,21,26)(H,22,27)
InChIKeyKSFOBWBBRRETJE-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.94
Rot. Bonds6

About 4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide

4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide (PubChem CID 60537913) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
PubChem CID60537913
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide
SMILESCC(NC(=O)Cn1cnnn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C18H17FN6O2/c1-12(21-17(26)10-25-11-20-23-24-25)13-4-8-16(9-5-13)22-18(27)14-2-6-15(19)7-3-14/h2-9,11-12H,10H2,1H3,(H,21,26)(H,22,27)
InChIKeyKSFOBWBBRRETJE-UHFFFAOYSA-N
XLogP1.94
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-4-[[2-(tetrazol-1-yl)acetyl]amino]benzamide
CID 60533950
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 42905640
N-[4-[1-[[2-(cyclopropylmethylamino)acetyl]amino]ethyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 119744056
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 103855789
N-[(1R)-1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-(tetrazol-1-yl)acetamide
CID 51954474
propan-2-yl 4-[[2-(tetrazol-1-yl)acetyl]amino]benzoate
CID 17404193
methyl 3-(4-fluorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 71685310
N-[(1S)-1-naphthalen-2-ylethyl]-2-(tetrazol-1-yl)acetamide
CID 51513287
4-fluoro-N-[4-[1-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]phenyl]benzamide
CID 119744059
4-fluoro-N-[4-[1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]ethyl]phenyl]benzamide
CID 60538144
2-fluoro-N-[1-[4-[(4-fluorobenzoyl)amino]phenyl]ethyl]benzamide
CID 55916551

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide (CID 60537913) is 4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide is CC(NC(=O)Cn1cnnn1)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide?
The InChIKey is KSFOBWBBRRETJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-12(21-17(26)10-25-11-20-23-24-25)13-4-8-16(9-5-13)22-18(27)14-2-6-15(19)7-3-14/h2-9,11-12H,10H2,1H3,(H,21,26)(H,22,27).
What are the key properties of 4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide?
4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide has a molecular weight of 368.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[1-[[2-(tetrazol-1-yl)acetyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 60537913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).