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

C18H20F2N2O — CID 8638816

IUPAC2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN[C@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O/c1-12-5-3-4-6-15(12)10-22-18(23)11-21-13(2)14-7-8-16(19)17(20)9-14/h3-9,13,21H,10-11H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeySVONJUZPFZHIDF-CYBMUJFWSA-N
MW318.37 g/mol
LogP3.24
Rot. Bonds6

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

2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 8638816) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID8638816
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN[C@H](C)c1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N2O/c1-12-5-3-4-6-15(12)10-22-18(23)11-21-13(2)14-7-8-16(19)17(20)9-14/h3-9,13,21H,10-11H2,1-2H3,(H,22,23)/t13-/m1/s1
InChIKeySVONJUZPFZHIDF-CYBMUJFWSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376233
N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377065
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[(3-chlorophenyl)methyl]-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377009
2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 75455956
N-[(2-fluorophenyl)methyl]-2-(1-phenylethylamino)acetamide
CID 78695034
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8638855
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 9376373
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 8638957
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide (CID 8638816) is 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=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-methylphenyl)methyl]acetamide?
The InChIKey is SVONJUZPFZHIDF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-12-5-3-4-6-15(12)10-22-18(23)11-21-13(2)14-7-8-16(19)17(20)9-14/h3-9,13,21H,10-11H2,1-2H3,(H,22,23)/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide?
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 318.37 g/mol, XLogP of 3.24, 6 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-methylphenyl)methyl]acetamide is sourced from PubChem (CID 8638816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).