(3-carbamoylphenyl) 4-fluorobenzoate

C14H10FNO3 — CID 47175809

IUPAC(3-carbamoylphenyl) 4-fluorobenzoate
SMILESNC(=O)c1cccc(OC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H10FNO3/c15-11-6-4-9(5-7-11)14(18)19-12-3-1-2-10(8-12)13(16)17/h1-8H,(H2,16,17)
InChIKeyHNGNUBSOKFZGIQ-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.14
Rot. Bonds3

About (3-carbamoylphenyl) 4-fluorobenzoate

(3-carbamoylphenyl) 4-fluorobenzoate (PubChem CID 47175809) has the molecular formula C14H10FNO3 and a molecular weight of 259.24 g/mol. Its IUPAC name is (3-carbamoylphenyl) 4-fluorobenzoate.

Molecular Properties

Compound Name(3-carbamoylphenyl) 4-fluorobenzoate
PubChem CID47175809
Molecular FormulaC14H10FNO3
Molecular Weight259.24 g/mol
Exact Mass259.06
IUPAC Name(3-carbamoylphenyl) 4-fluorobenzoate
SMILESNC(=O)c1cccc(OC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H10FNO3/c15-11-6-4-9(5-7-11)14(18)19-12-3-1-2-10(8-12)13(16)17/h1-8H,(H2,16,17)
InChIKeyHNGNUBSOKFZGIQ-UHFFFAOYSA-N
XLogP2.14
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-carbamoylphenyl) 4-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(4-fluorobenzoyl)amino]phenyl] 4-fluorobenzoate
CID 3409068
bis(4-fluorophenyl) benzene-1,3-dicarboxylate
CID 1116137
(4-fluorophenyl) 4-benzoyloxybenzoate
CID 20782791
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
(3-nitrophenyl) 4-fluorobenzoate
CID 4812720
(3-carbamoylphenyl) 4-(propan-2-ylsulfamoyl)benzoate
CID 55642965
[3-(tetrazol-1-yl)phenyl] 4-fluorobenzoate
CID 1157241
[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
CID 6612290
[3-[(E)-2-cyano-2-phenylethenyl]phenyl] 4-fluorobenzoate
CID 39114979
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-fluorobenzoate
CID 5087937
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl) 4-fluorobenzoate?
The IUPAC name of (3-carbamoylphenyl) 4-fluorobenzoate (CID 47175809) is (3-carbamoylphenyl) 4-fluorobenzoate.
What is the SMILES notation for (3-carbamoylphenyl) 4-fluorobenzoate?
The canonical SMILES for (3-carbamoylphenyl) 4-fluorobenzoate is NC(=O)c1cccc(OC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of (3-carbamoylphenyl) 4-fluorobenzoate?
The InChIKey is HNGNUBSOKFZGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3/c15-11-6-4-9(5-7-11)14(18)19-12-3-1-2-10(8-12)13(16)17/h1-8H,(H2,16,17).
What are the key properties of (3-carbamoylphenyl) 4-fluorobenzoate?
(3-carbamoylphenyl) 4-fluorobenzoate has a molecular weight of 259.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl) 4-fluorobenzoate is sourced from PubChem (CID 47175809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).