N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide

C17H16FN5O2 — CID 39483104

IUPACN-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCCCOc1ccccc1F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H16FN5O2/c18-15-7-1-2-8-16(15)25-10-4-9-19-17(24)13-5-3-6-14(11-13)23-12-20-21-22-23/h1-3,5-8,11-12H,4,9-10H2,(H,19,24)
InChIKeyBBXLGNBOVJRTHM-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.00
Rot. Bonds7

About N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide

N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 39483104) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
PubChem CID39483104
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCCCOc1ccccc1F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H16FN5O2/c18-15-7-1-2-8-16(15)25-10-4-9-19-17(24)13-5-3-6-14(11-13)23-12-20-21-22-23/h1-3,5-8,11-12H,4,9-10H2,(H,19,24)
InChIKeyBBXLGNBOVJRTHM-UHFFFAOYSA-N
XLogP2.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 51222719
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
CID 122303073
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34554477
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
N-[4-(2-methylphenoxy)but-2-ynyl]-3-(tetrazol-1-yl)benzamide
CID 90575079
3-(diethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 26766015
N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 46460818
N-[2-(2-chlorophenoxy)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 6459476

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide (CID 39483104) is N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide is O=C(NCCCOc1ccccc1F)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is BBXLGNBOVJRTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-15-7-1-2-8-16(15)25-10-4-9-19-17(24)13-5-3-6-14(11-13)23-12-20-21-22-23/h1-3,5-8,11-12H,4,9-10H2,(H,19,24).
What are the key properties of N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide?
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 341.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 39483104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).