(4-fluorophenyl) 2-benzamidoacetate

C15H12FNO3 — CID 23275388

IUPAC(4-fluorophenyl) 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c16-12-6-8-13(9-7-12)20-14(18)10-17-15(19)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKeyIUEBUOUWKFJHSA-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.16
Rot. Bonds4

About (4-fluorophenyl) 2-benzamidoacetate

(4-fluorophenyl) 2-benzamidoacetate (PubChem CID 23275388) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is (4-fluorophenyl) 2-benzamidoacetate.

Molecular Properties

Compound Name(4-fluorophenyl) 2-benzamidoacetate
PubChem CID23275388
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name(4-fluorophenyl) 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)Oc1ccc(F)cc1
InChIInChI=1S/C15H12FNO3/c16-12-6-8-13(9-7-12)20-14(18)10-17-15(19)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19)
InChIKeyIUEBUOUWKFJHSA-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-Ethoxy-benzoylamino)-acetic acid
CID 748023
2-((4-(Propan-2-yloxy)phenyl)formamido)acetic acid
CID 870166
3-Benzamidocoumarin
CID 252608
4-Methyoxybenzoyl-N-glycine
CID 128847
4-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2222949
N-[2-(4-methoxyphenoxy)ethyl]-4-methylbenzamide
CID 2222974
2-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 2225978
4-tert-butyl-N-(2-phenoxyethyl)benzamide
CID 2244662
2-fluoro-N-(2-furylmethyl)benzamide
CID 784948
N-(2-phenoxyethyl)benzamide
CID 1811246
7-Fluoro-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
CID 55250652
N-[(4-methoxyphenyl)methyl]benzamide
CID 3959383

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 2-benzamidoacetate?
The IUPAC name of (4-fluorophenyl) 2-benzamidoacetate (CID 23275388) is (4-fluorophenyl) 2-benzamidoacetate.
What is the SMILES notation for (4-fluorophenyl) 2-benzamidoacetate?
The canonical SMILES for (4-fluorophenyl) 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) 2-benzamidoacetate?
The InChIKey is IUEBUOUWKFJHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-12-6-8-13(9-7-12)20-14(18)10-17-15(19)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,19).
What are the key properties of (4-fluorophenyl) 2-benzamidoacetate?
(4-fluorophenyl) 2-benzamidoacetate has a molecular weight of 273.26 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 2-benzamidoacetate is sourced from PubChem (CID 23275388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).