N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide

C16H14Cl2F2N2O — CID 9376760

IUPACN-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14Cl2F2N2O/c1-9(10-5-6-13(19)14(20)7-10)21-8-15(23)22-16-11(17)3-2-4-12(16)18/h2-7,9,21H,8H2,1H3,(H,22,23)/t9-/m0/s1
InChIKeyROJJLCDFFAVXEY-VIFPVBQESA-N
MW359.20 g/mol
LogP4.56
Rot. Bonds5

About N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 9376760) has the molecular formula C16H14Cl2F2N2O and a molecular weight of 359.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID9376760
Molecular FormulaC16H14Cl2F2N2O
Molecular Weight359.20 g/mol
Exact Mass358.05
IUPAC NameN-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C16H14Cl2F2N2O/c1-9(10-5-6-13(19)14(20)7-10)21-8-15(23)22-16-11(17)3-2-4-12(16)18/h2-7,9,21H,8H2,1H3,(H,22,23)/t9-/m0/s1
InChIKeyROJJLCDFFAVXEY-VIFPVBQESA-N
XLogP4.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide with MolForge

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Related Compounds

2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9377140
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-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
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-[(3-chlorophenyl)methyl]-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377009
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376424
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376233
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (CID 9376760) is N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is C[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is ROJJLCDFFAVXEY-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14Cl2F2N2O/c1-9(10-5-6-13(19)14(20)7-10)21-8-15(23)22-16-11(17)3-2-4-12(16)18/h2-7,9,21H,8H2,1H3,(H,22,23)/t9-/m0/s1.
What are the key properties of N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 359.20 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9376760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).