(4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate

C19H19FN2O4 — CID 2204513

IUPAC(4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O4/c1-13-2-6-15(7-3-13)19(25)22-10-17(23)21-11-18(24)26-12-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,23)(H,22,25)
InChIKeyOWUAJRWIZXBRGM-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.72
Rot. Bonds7

About (4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate

(4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate (PubChem CID 2204513) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate
PubChem CID2204513
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name(4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate
SMILESCc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H19FN2O4/c1-13-2-6-15(7-3-13)19(25)22-10-17(23)21-11-18(24)26-12-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,23)(H,22,25)
InChIKeyOWUAJRWIZXBRGM-UHFFFAOYSA-N
XLogP1.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
The IUPAC name of (4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate (CID 2204513) is (4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
The canonical SMILES for (4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate is Cc1ccc(C(=O)NCC(=O)NCC(=O)OCc2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
The InChIKey is OWUAJRWIZXBRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-13-2-6-15(7-3-13)19(25)22-10-17(23)21-11-18(24)26-12-14-4-8-16(20)9-5-14/h2-9H,10-12H2,1H3,(H,21,23)(H,22,25).
What are the key properties of (4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate?
(4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate has a molecular weight of 358.37 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 2204513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).