N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide

C15H12F3NO — CID 8782133

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
SMILESC[C@@H](NC(=O)c1ccccc1F)c1ccc(F)cc1F
InChIInChI=1S/C15H12F3NO/c1-9(11-7-6-10(16)8-14(11)18)19-15(20)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyJMDIYXPPYHRYJF-SECBINFHSA-N
MW279.26 g/mol
LogP3.59
Rot. Bonds3

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide (PubChem CID 8782133) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
PubChem CID8782133
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
SMILESC[C@@H](NC(=O)c1ccccc1F)c1ccc(F)cc1F
InChIInChI=1S/C15H12F3NO/c1-9(11-7-6-10(16)8-14(11)18)19-15(20)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)/t9-/m1/s1
InChIKeyJMDIYXPPYHRYJF-SECBINFHSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide 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-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[1-[1-(2,4-difluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 51150373
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 112763839
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51150347
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 42959972

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide (CID 8782133) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide is C[C@@H](NC(=O)c1ccccc1F)c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide?
The InChIKey is JMDIYXPPYHRYJF-SECBINFHSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-9(11-7-6-10(16)8-14(11)18)19-15(20)12-4-2-3-5-13(12)17/h2-9H,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide has a molecular weight of 279.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 8782133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).