2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide

C17H17F3N2O — CID 9370392

IUPAC2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](C)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C17H17F3N2O/c1-10-3-5-13(8-15(10)19)22-17(23)9-21-11(2)14-6-4-12(18)7-16(14)20/h3-8,11,21H,9H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyXJBKPROOXVTNMK-NSHDSACASA-N
MW322.33 g/mol
LogP3.70
Rot. Bonds5

About 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide (PubChem CID 9370392) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
PubChem CID9370392
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](C)c2ccc(F)cc2F)cc1F
InChIInChI=1S/C17H17F3N2O/c1-10-3-5-13(8-15(10)19)22-17(23)9-21-11(2)14-6-4-12(18)7-16(14)20/h3-8,11,21H,9H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyXJBKPROOXVTNMK-NSHDSACASA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9307246
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9369894
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9370342
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9369627
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757
N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369777
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8593623
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylacetamide
CID 43401006
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9370429
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370543

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide (CID 9370392) is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(F)cc2F)cc1F.
What is the InChIKey of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide?
The InChIKey is XJBKPROOXVTNMK-NSHDSACASA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-10-3-5-13(8-15(10)19)22-17(23)9-21-11(2)14-6-4-12(18)7-16(14)20/h3-8,11,21H,9H2,1-2H3,(H,22,23)/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide?
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide has a molecular weight of 322.33 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 9370392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).