(3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate

C16H14FNO3 — CID 87014056

IUPAC(3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate
SMILESNC(=O)c1cccc(OC(=O)CCc2cccc(F)c2)c1
InChIInChI=1S/C16H14FNO3/c17-13-5-1-3-11(9-13)7-8-15(19)21-14-6-2-4-12(10-14)16(18)20/h1-6,9-10H,7-8H2,(H2,18,20)
InChIKeyLZOOMEBJOFJHSE-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.46
Rot. Bonds5

About (3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate

(3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate (PubChem CID 87014056) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate.

Molecular Properties

Compound Name(3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate
PubChem CID87014056
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate
SMILESNC(=O)c1cccc(OC(=O)CCc2cccc(F)c2)c1
InChIInChI=1S/C16H14FNO3/c17-13-5-1-3-11(9-13)7-8-15(19)21-14-6-2-4-12(10-14)16(18)20/h1-6,9-10H,7-8H2,(H2,18,20)
InChIKeyLZOOMEBJOFJHSE-UHFFFAOYSA-N
XLogP2.46
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.46
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

(4-benzamidophenyl) 3-(3-fluorophenyl)propanoate
CID 34465464
bis(3-fluorophenyl) hexanedioate
CID 91704929
(3-acetylphenyl) 3-(3-bromophenyl)propanoate
CID 78779771
(2-chlorophenyl) 3-(3-fluorophenyl)propanoate
CID 78829873
(3-carbamoylphenyl) 4-fluorobenzoate
CID 47175809
(3-chlorophenyl) 3-(3-chlorophenyl)propanoate
CID 1407466
[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927732
phenyl 2-(3-fluorophenyl)acetate
CID 121272908
1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one
CID 82117867
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one
CID 146006671
methyl 2-[3-(3-fluorophenyl)propanoyloxy]-5-methylbenzoate
CID 86890072

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate?
The IUPAC name of (3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate (CID 87014056) is (3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate.
What is the SMILES notation for (3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate?
The canonical SMILES for (3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate is NC(=O)c1cccc(OC(=O)CCc2cccc(F)c2)c1.
What is the InChIKey of (3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate?
The InChIKey is LZOOMEBJOFJHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-5-1-3-11(9-13)7-8-15(19)21-14-6-2-4-12(10-14)16(18)20/h1-6,9-10H,7-8H2,(H2,18,20).
What are the key properties of (3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate?
(3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate has a molecular weight of 287.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl) 3-(3-fluorophenyl)propanoate is sourced from PubChem (CID 87014056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).