4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide

C15H14F2N2O2 — CID 63185424

IUPAC4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
SMILESNc1c(F)cc(C(=O)NCCOc2ccccc2)cc1F
InChIInChI=1S/C15H14F2N2O2/c16-12-8-10(9-13(17)14(12)18)15(20)19-6-7-21-11-4-2-1-3-5-11/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyRXTWCKZMZDMHNW-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.36
Rot. Bonds5

About 4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide

4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide (PubChem CID 63185424) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
PubChem CID63185424
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide
SMILESNc1c(F)cc(C(=O)NCCOc2ccccc2)cc1F
InChIInChI=1S/C15H14F2N2O2/c16-12-8-10(9-13(17)14(12)18)15(20)19-6-7-21-11-4-2-1-3-5-11/h1-5,8-9H,6-7,18H2,(H,19,20)
InChIKeyRXTWCKZMZDMHNW-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide 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

N-[2-(4-aminophenoxy)ethyl]benzamide
CID 14121577
4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
CID 63187415
2,4-difluoro-N-(2-phenoxyethyl)benzamide
CID 26676947
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
3-amino-5-nitro-N-(2-phenoxyethyl)benzamide
CID 143923153
3,5-dibromo-N-(3-phenoxypropyl)benzamide
CID 107980421
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
2-fluoro-N-(2-phenoxyethyl)-5-sulfanylbenzamide
CID 107026803
3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide (CID 63185424) is 4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide is Nc1c(F)cc(C(=O)NCCOc2ccccc2)cc1F.
What is the InChIKey of 4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide?
The InChIKey is RXTWCKZMZDMHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-12-8-10(9-13(17)14(12)18)15(20)19-6-7-21-11-4-2-1-3-5-11/h1-5,8-9H,6-7,18H2,(H,19,20).
What are the key properties of 4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide?
4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide has a molecular weight of 292.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 63185424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).