(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone

C14H11ClFNO — CID 104891231

IUPAC(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone
SMILESN[C@@H](C(=O)c1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C14H11ClFNO/c15-10-6-7-11(12(16)8-10)14(18)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2/t13-/m1/s1
InChIKeyHCTZBSFOYXXUAH-CYBMUJFWSA-N
MW263.70 g/mol
LogP3.36
Rot. Bonds3

About (2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone

(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone (PubChem CID 104891231) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is (2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone
PubChem CID104891231
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone
SMILESN[C@@H](C(=O)c1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C14H11ClFNO/c15-10-6-7-11(12(16)8-10)14(18)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2/t13-/m1/s1
InChIKeyHCTZBSFOYXXUAH-CYBMUJFWSA-N
XLogP3.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone 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

4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
(2R)-2-amino-1-(2-amino-5-chloro-3-pyridinyl)-2-phenylethanone
CID 104891089
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone
CID 67942436
(2R)-2-amino-1-(4-methoxy-2-methylphenyl)-2-phenylethanone
CID 104891125
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
CID 70204169
2-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)-3-oxopropanenitrile
CID 62829637
2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 81236882
3-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 43333874
2-bromo-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 87217528
4-chloro-2-fluoro-N-phenyl-N-propan-2-ylbenzamide
CID 52663224

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone (CID 104891231) is (2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone is N[C@@H](C(=O)c1ccc(Cl)cc1F)c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone?
The InChIKey is HCTZBSFOYXXUAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-10-6-7-11(12(16)8-10)14(18)13(17)9-4-2-1-3-5-9/h1-8,13H,17H2/t13-/m1/s1.
What are the key properties of (2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone?
(2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone has a molecular weight of 263.70 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(4-chloro-2-fluorophenyl)-2-phenylethanone is sourced from PubChem (CID 104891231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).