2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide

C16H13F2N5O — CID 71914595

IUPAC2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(F)c1F)Nc1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C16H13F2N5O/c17-13-3-1-2-11(16(13)18)9-15(24)19-12-6-4-10(5-7-12)8-14-20-22-23-21-14/h1-7H,8-9H2,(H,19,24)(H,20,21,22,23)
InChIKeyFBPBJNBLUDUCEE-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.25
Rot. Bonds5

About 2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide

2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide (PubChem CID 71914595) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
PubChem CID71914595
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC Name2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(F)c1F)Nc1ccc(Cc2nn[nH]n2)cc1
InChIInChI=1S/C16H13F2N5O/c17-13-3-1-2-11(16(13)18)9-15(24)19-12-6-4-10(5-7-12)8-14-20-22-23-21-14/h1-7H,8-9H2,(H,19,24)(H,20,21,22,23)
InChIKeyFBPBJNBLUDUCEE-UHFFFAOYSA-N
XLogP2.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499514
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
2,2,3,3,3-pentafluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
CID 14253821
N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799348
N-(4-amino-3-bromophenyl)-2-(2,3-difluorophenyl)acetamide
CID 82862460
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]octanamide
CID 14253811
3,3,3-trifluoro-N-[3-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
CID 154844252
2-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 35364792
N-[4-(diethylamino)phenyl]-2-(2H-tetrazol-5-yl)acetamide
CID 110499370
N-(3-methylsulfanylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499506
3-(2,3-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110922797

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide (CID 71914595) is 2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide is O=C(Cc1cccc(F)c1F)Nc1ccc(Cc2nn[nH]n2)cc1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide?
The InChIKey is FBPBJNBLUDUCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c17-13-3-1-2-11(16(13)18)9-15(24)19-12-6-4-10(5-7-12)8-14-20-22-23-21-14/h1-7H,8-9H2,(H,19,24)(H,20,21,22,23).
What are the key properties of 2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide?
2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide has a molecular weight of 329.31 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 71914595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).