(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide

C16H14FN5O2 — CID 7705781

IUPAC(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FN5O2/c1-11(16(23)19-13-7-5-12(17)6-8-13)24-15-4-2-3-14(9-15)22-10-18-20-21-22/h2-11H,1H3,(H,19,23)/t11-/m0/s1
InChIKeySCEIOWVODKKETE-NSHDSACASA-N
MW327.32 g/mol
LogP2.21
Rot. Bonds5

About (2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide

(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide (PubChem CID 7705781) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
PubChem CID7705781
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FN5O2/c1-11(16(23)19-13-7-5-12(17)6-8-13)24-15-4-2-3-14(9-15)22-10-18-20-21-22/h2-11H,1H3,(H,19,23)/t11-/m0/s1
InChIKeySCEIOWVODKKETE-NSHDSACASA-N
XLogP2.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-phenyl-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705759
N-(4-methoxyphenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 91204947
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 25469917
(2R)-N-(3-chlorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide
CID 7705700
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595
(2S)-2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 26820827
2-(2,3-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 17011478
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 20894851
(1-anilino-1-oxopropan-2-yl) 3-(tetrazol-1-yl)benzoate
CID 18081042
(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7818352
[(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] 3-(tetrazol-1-yl)benzoate
CID 41194315

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide (CID 7705781) is (2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide is C[C@H](Oc1cccc(-n2cnnn2)c1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
The InChIKey is SCEIOWVODKKETE-NSHDSACASA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-11(16(23)19-13-7-5-12(17)6-8-13)24-15-4-2-3-14(9-15)22-10-18-20-21-22/h2-11H,1H3,(H,19,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide?
(2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide has a molecular weight of 327.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[3-(tetrazol-1-yl)phenoxy]propanamide is sourced from PubChem (CID 7705781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).