(2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate

C17H16FNO3 — CID 32887884

IUPAC(2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)OCc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO3/c1-12(20)19-10-13-6-8-14(9-7-13)17(21)22-11-15-4-2-3-5-16(15)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyDWXQVMWXWOXOQZ-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.82
Rot. Bonds5

About (2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate

(2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate (PubChem CID 32887884) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate
PubChem CID32887884
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name(2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate
SMILESCC(=O)NCc1ccc(C(=O)OCc2ccccc2F)cc1
InChIInChI=1S/C17H16FNO3/c1-12(20)19-10-13-6-8-14(9-7-13)17(21)22-11-15-4-2-3-5-16(15)18/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyDWXQVMWXWOXOQZ-UHFFFAOYSA-N
XLogP2.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl)methyl 4-(2-aminoethyl)benzoate
CID 63933039
ethyl 4-[[(2-fluorophenyl)methylcarbamoylamino]methyl]benzoate
CID 108897590
(2-fluorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753125
(3,5-dimethylphenyl)methyl 4-(acetamidomethyl)benzoate
CID 18195643
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-(acetamidomethyl)benzoate
CID 18100030
(2-fluorophenyl)methyl 3-fluoro-4-methylbenzoate
CID 52515102
(2-fluorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 63283831
(2-bromophenyl)methyl 4-[(carbamoylamino)methyl]benzoate
CID 32959565
4-O-[(2-fluorophenyl)methyl] 1-O-nonyl benzene-1,4-dicarboxylate
CID 91740361
[2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195544
(2-fluorophenyl)methyl 6-fluoropyridine-3-carboxylate
CID 113236225
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate?
The IUPAC name of (2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate (CID 32887884) is (2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate?
The canonical SMILES for (2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate is CC(=O)NCc1ccc(C(=O)OCc2ccccc2F)cc1.
What is the InChIKey of (2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate?
The InChIKey is DWXQVMWXWOXOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-12(20)19-10-13-6-8-14(9-7-13)17(21)22-11-15-4-2-3-5-16(15)18/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of (2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate?
(2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate has a molecular weight of 301.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 4-(acetamidomethyl)benzoate is sourced from PubChem (CID 32887884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).