N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide

C15H13FN6O — CID 25344863

IUPACN-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide
SMILESO=C(CNc1cccc(-n2cnnn2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN6O/c16-11-4-6-12(7-5-11)19-15(23)9-17-13-2-1-3-14(8-13)22-10-18-20-21-22/h1-8,10,17H,9H2,(H,19,23)
InChIKeyZLHJUMSMYYNNRW-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.85
Rot. Bonds5

About N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide

N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide (PubChem CID 25344863) has the molecular formula C15H13FN6O and a molecular weight of 312.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide
PubChem CID25344863
Molecular FormulaC15H13FN6O
Molecular Weight312.31 g/mol
Exact Mass312.11
IUPAC NameN-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide
SMILESO=C(CNc1cccc(-n2cnnn2)c1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN6O/c16-11-4-6-12(7-5-11)19-15(23)9-17-13-2-1-3-14(8-13)22-10-18-20-21-22/h1-8,10,17H,9H2,(H,19,23)
InChIKeyZLHJUMSMYYNNRW-UHFFFAOYSA-N
XLogP1.85
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(tetrazol-1-yl)anilino]acetamide
CID 59708615
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705781
2,4-difluoro-N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]benzamide
CID 34549994
2-[[2-[2-fluoro-5-(tetrazol-1-yl)anilino]acetyl]amino]-N-phenylbenzamide
CID 56514274
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18081449
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
3-(2-fluoro-3-methoxyphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 119053119
3-chloro-2,2-dimethyl-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 63679217
2-(2-chlorophenoxy)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8753073

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide (CID 25344863) is N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide is O=C(CNc1cccc(-n2cnnn2)c1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide?
The InChIKey is ZLHJUMSMYYNNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O/c16-11-4-6-12(7-5-11)19-15(23)9-17-13-2-1-3-14(8-13)22-10-18-20-21-22/h1-8,10,17H,9H2,(H,19,23).
What are the key properties of N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide?
N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide has a molecular weight of 312.31 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 25344863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).