2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C22H28F2N2O — CID 9377140

IUPAC2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C22H28F2N2O/c1-13(2)17-7-6-8-18(14(3)4)22(17)26-21(27)12-25-15(5)16-9-10-19(23)20(24)11-16/h6-11,13-15,25H,12H2,1-5H3,(H,26,27)/t15-/m1/s1
InChIKeyOBUIXRMBHARHSF-OAHLLOKOSA-N
MW374.48 g/mol
LogP5.50
Rot. Bonds7

About 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 9377140) has the molecular formula C22H28F2N2O and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID9377140
Molecular FormulaC22H28F2N2O
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C22H28F2N2O/c1-13(2)17-7-6-8-18(14(3)4)22(17)26-21(27)12-25-15(5)16-9-10-19(23)20(24)11-16/h6-11,13-15,25H,12H2,1-5H3,(H,26,27)/t15-/m1/s1
InChIKeyOBUIXRMBHARHSF-OAHLLOKOSA-N
XLogP5.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide with MolForge

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Related Compounds

N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376760
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370543
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370539
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 8638957
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
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
N-(tert-butylcarbamoyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9375557
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 9377140) is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN[C@H](C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is OBUIXRMBHARHSF-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28F2N2O/c1-13(2)17-7-6-8-18(14(3)4)22(17)26-21(27)12-25-15(5)16-9-10-19(23)20(24)11-16/h6-11,13-15,25H,12H2,1-5H3,(H,26,27)/t15-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 374.48 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 9377140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).