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

C23H22F2N2O — CID 9377065

IUPACN-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H22F2N2O/c1-16(18-11-12-20(24)21(25)14-18)26-15-23(28)27-22-10-6-5-9-19(22)13-17-7-3-2-4-8-17/h2-12,14,16,26H,13,15H2,1H3,(H,27,28)/t16-/m1/s1
InChIKeySAAGZRONKRZEIU-MRXNPFEDSA-N
MW380.44 g/mol
LogP4.84
Rot. Bonds7

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

N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 9377065) has the molecular formula C23H22F2N2O and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID9377065
Molecular FormulaC23H22F2N2O
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C23H22F2N2O/c1-16(18-11-12-20(24)21(25)14-18)26-15-23(28)27-22-10-6-5-9-19(22)13-17-7-3-2-4-8-17/h2-12,14,16,26H,13,15H2,1H3,(H,27,28)/t16-/m1/s1
InChIKeySAAGZRONKRZEIU-MRXNPFEDSA-N
XLogP4.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
[2-(2-benzylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9377062
N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376956
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 9376373
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646
2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 40939435
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376424
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide (CID 9377065) is N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is C[C@@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is SAAGZRONKRZEIU-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H22F2N2O/c1-16(18-11-12-20(24)21(25)14-18)26-15-23(28)27-22-10-6-5-9-19(22)13-17-7-3-2-4-8-17/h2-12,14,16,26H,13,15H2,1H3,(H,27,28)/t16-/m1/s1.
What are the key properties of N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide?
N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 380.44 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9377065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).