2-[(4-fluoroanilino)carbamoyl]benzoate

C14H10FN2O3- — CID 7021038

IUPAC2-[(4-fluoroanilino)carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)NNc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O3/c15-9-5-7-10(8-6-9)16-17-13(18)11-3-1-2-4-12(11)14(19)20/h1-8,16H,(H,17,18)(H,19,20)/p-1
InChIKeyNVOSYLGKHYETHC-UHFFFAOYSA-M
MW273.24 g/mol
LogP0.95
Rot. Bonds4

About 2-[(4-fluoroanilino)carbamoyl]benzoate

2-[(4-fluoroanilino)carbamoyl]benzoate (PubChem CID 7021038) has the molecular formula C14H10FN2O3- and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-[(4-fluoroanilino)carbamoyl]benzoate.

Molecular Properties

Compound Name2-[(4-fluoroanilino)carbamoyl]benzoate
PubChem CID7021038
Molecular FormulaC14H10FN2O3-
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name2-[(4-fluoroanilino)carbamoyl]benzoate
SMILESO=C([O-])c1ccccc1C(=O)NNc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O3/c15-9-5-7-10(8-6-9)16-17-13(18)11-3-1-2-4-12(11)14(19)20/h1-8,16H,(H,17,18)(H,19,20)/p-1
InChIKeyNVOSYLGKHYETHC-UHFFFAOYSA-M
XLogP0.95
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorobenzoyl)benzoate
CID 5082940
2-[(4-fluorophenyl)methoxy]-N'-phenylbenzohydrazide
CID 78774963
N'-(4-fluorophenyl)dibenzofuran-4-carbohydrazide
CID 15942793
N',2-bis(4-fluorobenzoyl)benzohydrazide
CID 55554421
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
2-[[(2-iodobenzoyl)amino]carbamoyl]benzoate
CID 3622064
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237
trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoroanilino)carbamoyl]benzoate?
The IUPAC name of 2-[(4-fluoroanilino)carbamoyl]benzoate (CID 7021038) is 2-[(4-fluoroanilino)carbamoyl]benzoate.
What is the SMILES notation for 2-[(4-fluoroanilino)carbamoyl]benzoate?
The canonical SMILES for 2-[(4-fluoroanilino)carbamoyl]benzoate is O=C([O-])c1ccccc1C(=O)NNc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluoroanilino)carbamoyl]benzoate?
The InChIKey is NVOSYLGKHYETHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11FN2O3/c15-9-5-7-10(8-6-9)16-17-13(18)11-3-1-2-4-12(11)14(19)20/h1-8,16H,(H,17,18)(H,19,20)/p-1.
What are the key properties of 2-[(4-fluoroanilino)carbamoyl]benzoate?
2-[(4-fluoroanilino)carbamoyl]benzoate has a molecular weight of 273.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoroanilino)carbamoyl]benzoate is sourced from PubChem (CID 7021038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).