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

C10H10FN5O — CID 66855537

IUPACN-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C10H10FN5O/c1-2-9(17)12-8-4-6(3-7(11)5-8)10-13-15-16-14-10/h3-5H,2H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyQNHQAAQPAYYDHU-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.35
Rot. Bonds3

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

N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 66855537) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID66855537
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC NameN-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(F)cc(-c2nn[nH]n2)c1
InChIInChI=1S/C10H10FN5O/c1-2-9(17)12-8-4-6(3-7(11)5-8)10-13-15-16-14-10/h3-5H,2H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyQNHQAAQPAYYDHU-UHFFFAOYSA-N
XLogP1.35
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Acitazanolast
CID 2006
N-(3-(2H-Tetrazol-5-yl)phenyl)acetamide
CID 3055901
3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide
CID 6470990
N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
N1-(2,4-difluorophenyl)-2-(2H-1,2,3,4-tetraazol-5-yl)acetamide
CID 2799349
N-[2-(2H-Tetrazol-5-yl)phenyl]acetamide
CID 4440906
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 49843520
N-(3-ethynylbenzyl)-N-[2-fluoro-5-(1H-tetrazol-5-yl)phenyl]acetamide
CID 49872386
N-[3-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 49872677
N-[3-(2H-tetrazol-5-yl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 49872771
N-[(2-fluorophenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872776
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 49873181

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide (CID 66855537) is N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide is CCC(=O)Nc1cc(F)cc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is QNHQAAQPAYYDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c1-2-9(17)12-8-4-6(3-7(11)5-8)10-13-15-16-14-10/h3-5H,2H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide?
N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 235.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 66855537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).