4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide

C16H16FN3O2 — CID 108900107

IUPAC4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide
SMILESNc1ccc(C(=O)NC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C16H16FN3O2/c17-14-4-2-1-3-11(14)9-10-19-16(22)20-15(21)12-5-7-13(18)8-6-12/h1-8H,9-10,18H2,(H2,19,20,21,22)
InChIKeyLUEVKSGYGYEMJK-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.09
Rot. Bonds4

About 4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide

4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide (PubChem CID 108900107) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide
PubChem CID108900107
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide
SMILESNc1ccc(C(=O)NC(=O)NCCc2ccccc2F)cc1
InChIInChI=1S/C16H16FN3O2/c17-14-4-2-1-3-11(14)9-10-19-16(22)20-15(21)12-5-7-13(18)8-6-12/h1-8H,9-10,18H2,(H2,19,20,21,22)
InChIKeyLUEVKSGYGYEMJK-UHFFFAOYSA-N
XLogP2.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
1-(4-amino-2-chlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900021
3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide
CID 43146096
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 28931622
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299311
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 8643346
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
N-[2-(2-fluorophenyl)ethyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 9490586
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide?
The IUPAC name of 4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide (CID 108900107) is 4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide is Nc1ccc(C(=O)NC(=O)NCCc2ccccc2F)cc1.
What is the InChIKey of 4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide?
The InChIKey is LUEVKSGYGYEMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-14-4-2-1-3-11(14)9-10-19-16(22)20-15(21)12-5-7-13(18)8-6-12/h1-8H,9-10,18H2,(H2,19,20,21,22).
What are the key properties of 4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide?
4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide has a molecular weight of 301.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide is sourced from PubChem (CID 108900107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).