2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide

C21H16FN5O — CID 142724072

IUPAC2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide
SMILESO=C(CF)Nc1ccccc1-c1cccc(-n2cc(-c3ccccn3)nn2)c1
InChIInChI=1S/C21H16FN5O/c22-13-21(28)24-18-9-2-1-8-17(18)15-6-5-7-16(12-15)27-14-20(25-26-27)19-10-3-4-11-23-19/h1-12,14H,13H2,(H,24,28)
InChIKeyMXHSQMWCOUHSHV-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.90
Rot. Bonds5

About 2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide

2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide (PubChem CID 142724072) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide
PubChem CID142724072
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide
SMILESO=C(CF)Nc1ccccc1-c1cccc(-n2cc(-c3ccccn3)nn2)c1
InChIInChI=1S/C21H16FN5O/c22-13-21(28)24-18-9-2-1-8-17(18)15-6-5-7-16(12-15)27-14-20(25-26-27)19-10-3-4-11-23-19/h1-12,14H,13H2,(H,24,28)
InChIKeyMXHSQMWCOUHSHV-UHFFFAOYSA-N
XLogP3.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7768455
2-fluoro-N-[2-(3-formylphenyl)phenyl]acetamide
CID 142724075
2-[1-(3,4-dimethoxyphenyl)triazol-4-yl]pyridine
CID 71812350
N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]quinoxaline-2-carboxamide
CID 142723865
4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162662895
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8010785
2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8002425
3-[1-(3-chlorophenyl)triazol-4-yl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53169988
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723
N-(2-phenylphenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2026816
methyl 4-[1-(3-phenylphenyl)triazol-4-yl]benzoate
CID 162659087
N-[3-[2-[(2-fluoroacetyl)amino]phenyl]phenyl]-5-(pyridin-3-ylamino)pyridine-3-carboxamide
CID 142724092

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide?
The IUPAC name of 2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide (CID 142724072) is 2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide?
The canonical SMILES for 2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide is O=C(CF)Nc1ccccc1-c1cccc(-n2cc(-c3ccccn3)nn2)c1.
What is the InChIKey of 2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide?
The InChIKey is MXHSQMWCOUHSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c22-13-21(28)24-18-9-2-1-8-17(18)15-6-5-7-16(12-15)27-14-20(25-26-27)19-10-3-4-11-23-19/h1-12,14H,13H2,(H,24,28).
What are the key properties of 2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide?
2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide has a molecular weight of 373.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[3-(4-pyridin-2-yltriazol-1-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 142724072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).