(4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate

C21H17FN2O3 — CID 122367483

IUPAC(4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate
SMILESO=C(Cc1ccccn1)Nc1ccccc1C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C21H17FN2O3/c22-16-10-8-15(9-11-16)14-27-21(26)18-6-1-2-7-19(18)24-20(25)13-17-5-3-4-12-23-17/h1-12H,13-14H2,(H,24,25)
InChIKeyHDSZFXPDRLEWDF-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.76
Rot. Bonds6

About (4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate

(4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate (PubChem CID 122367483) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate
PubChem CID122367483
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name(4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate
SMILESO=C(Cc1ccccn1)Nc1ccccc1C(=O)OCc1ccc(F)cc1
InChIInChI=1S/C21H17FN2O3/c22-16-10-8-15(9-11-16)14-27-21(26)18-6-1-2-7-19(18)24-20(25)13-17-5-3-4-12-23-17/h1-12H,13-14H2,(H,24,25)
InChIKeyHDSZFXPDRLEWDF-UHFFFAOYSA-N
XLogP3.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(4-fluorophenyl)acetyl]amino]benzoate
CID 798726
N-(2-hydroxyphenyl)-2-pyridin-2-ylacetamide
CID 11746373
ethyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 27844298
2-pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110696997
2-fluoro-6-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 43442825
N-naphthalen-1-yl-2-pyridin-2-ylacetamide
CID 110468215
2-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 47043618
methyl 2-[3-(4-fluorophenyl)propanoylamino]benzoate
CID 32989548
1-O-methyl 2-O-(pyridin-2-ylmethyl) benzene-1,2-dicarboxylate
CID 56504965
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate
CID 172557349

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate?
The IUPAC name of (4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate (CID 122367483) is (4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate?
The canonical SMILES for (4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate is O=C(Cc1ccccn1)Nc1ccccc1C(=O)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate?
The InChIKey is HDSZFXPDRLEWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c22-16-10-8-15(9-11-16)14-27-21(26)18-6-1-2-7-19(18)24-20(25)13-17-5-3-4-12-23-17/h1-12H,13-14H2,(H,24,25).
What are the key properties of (4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate?
(4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate has a molecular weight of 364.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-[(2-pyridin-2-ylacetyl)amino]benzoate is sourced from PubChem (CID 122367483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).