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

C20H24F2N2O — CID 9376286

IUPACN-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H24F2N2O/c1-13(14-5-10-17(21)18(22)11-14)23-12-19(25)24-16-8-6-15(7-9-16)20(2,3)4/h5-11,13,23H,12H2,1-4H3,(H,24,25)/t13-/m0/s1
InChIKeyQEJJAHLFOMJYHX-ZDUSSCGKSA-N
MW346.42 g/mol
LogP4.55
Rot. Bonds5

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

N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 9376286) has the molecular formula C20H24F2N2O and a molecular weight of 346.42 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID9376286
Molecular FormulaC20H24F2N2O
Molecular Weight346.42 g/mol
Exact Mass346.19
IUPAC NameN-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H24F2N2O/c1-13(14-5-10-17(21)18(22)11-14)23-12-19(25)24-16-8-6-15(7-9-16)20(2,3)4/h5-11,13,23H,12H2,1-4H3,(H,24,25)/t13-/m0/s1
InChIKeyQEJJAHLFOMJYHX-ZDUSSCGKSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9376391
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376285
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-(tert-butylcarbamoyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9375557
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376473
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (CID 9376286) is N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)Nc1ccc(C(C)(C)C)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is QEJJAHLFOMJYHX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H24F2N2O/c1-13(14-5-10-17(21)18(22)11-14)23-12-19(25)24-16-8-6-15(7-9-16)20(2,3)4/h5-11,13,23H,12H2,1-4H3,(H,24,25)/t13-/m0/s1.
What are the key properties of N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 346.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9376286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).