N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide

C17H16FN5O2 — CID 66853914

IUPACN-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(O)cc1)c1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H16FN5O2/c1-2-16(25)23(10-11-3-5-15(24)6-4-11)14-8-12(7-13(18)9-14)17-19-21-22-20-17/h3-9,24H,2,10H2,1H3,(H,19,20,21,22)
InChIKeyUCSHUAXBZHSMGY-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.65
Rot. Bonds5

About N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide

N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide (PubChem CID 66853914) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide
PubChem CID66853914
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(O)cc1)c1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C17H16FN5O2/c1-2-16(25)23(10-11-3-5-15(24)6-4-11)14-8-12(7-13(18)9-14)17-19-21-22-20-17/h3-9,24H,2,10H2,1H3,(H,19,20,21,22)
InChIKeyUCSHUAXBZHSMGY-UHFFFAOYSA-N
XLogP2.65
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 70802934
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazole-3-carboxamide
CID 66854826
N-(4-fluorophenyl)-N-[[4-[5-fluoro-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3-methylbutanamide
CID 162644087
CID 175020702
CID 175020702
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
N-(3-fluorophenyl)-N-[[4-(4-hydroxyphenyl)phenyl]methyl]benzamide
CID 156654005
2-chloro-N-(3,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 39437129
1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone
CID 163817482
N-[(4-fluorophenyl)methyl]-N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]propanamide
CID 46045670
N-benzyl-N-(3,4-dihydroxyphenyl)propanamide
CID 67853659
2-(benzotriazol-2-yl)-N-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]acetamide
CID 91785545
2-[4-[(3,5-difluorophenyl)carbamoylamino]-3-(2H-tetrazol-5-yl)phenyl]-N,N-dimethylacetamide
CID 10069617

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide?
The IUPAC name of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide (CID 66853914) is N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide?
The canonical SMILES for N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide is CCC(=O)N(Cc1ccc(O)cc1)c1cc(F)cc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide?
The InChIKey is UCSHUAXBZHSMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-2-16(25)23(10-11-3-5-15(24)6-4-11)14-8-12(7-13(18)9-14)17-19-21-22-20-17/h3-9,24H,2,10H2,1H3,(H,19,20,21,22).
What are the key properties of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide?
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide has a molecular weight of 341.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[(4-hydroxyphenyl)methyl]propanamide is sourced from PubChem (CID 66853914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).