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

C18H20F2N2O — CID 9376646

IUPAC2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C18H20F2N2O/c1-11-4-7-17(12(2)8-11)22-18(23)10-21-13(3)14-5-6-15(19)16(20)9-14/h4-9,13,21H,10H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyWVBQMQXAYLPOCJ-ZDUSSCGKSA-N
MW318.37 g/mol
LogP3.87
Rot. Bonds5

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

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 9376646) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID9376646
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C18H20F2N2O/c1-11-4-7-17(12(2)8-11)22-18(23)10-21-13(3)14-5-6-15(19)16(20)9-14/h4-9,13,21H,10H2,1-3H3,(H,22,23)/t13-/m0/s1
InChIKeyWVBQMQXAYLPOCJ-ZDUSSCGKSA-N
XLogP3.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376424
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 9376373
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
methyl 3-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-4-methylbenzoate
CID 9375605
N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898768
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
N-(4-chloro-2-fluorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336002
N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377065
N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376956
2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 40939435

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide (CID 9376646) is 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)c(C)c1.
What is the InChIKey of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is WVBQMQXAYLPOCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-11-4-7-17(12(2)8-11)22-18(23)10-21-13(3)14-5-6-15(19)16(20)9-14/h4-9,13,21H,10H2,1-3H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide?
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 318.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 9376646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).