N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide

C25H26FN3O2 — CID 8719979

IUPACN-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
SMILESCCc1ccc([C@@H](NCC(=O)Nc2ccc(NC(C)=O)cc2)c2cccc(F)c2)cc1
InChIInChI=1S/C25H26FN3O2/c1-3-18-7-9-19(10-8-18)25(20-5-4-6-21(26)15-20)27-16-24(31)29-23-13-11-22(12-14-23)28-17(2)30/h4-15,25,27H,3,16H2,1-2H3,(H,28,30)(H,29,31)/t25-/m1/s1
InChIKeySJZIZWXGYOPQLT-RUZDIDTESA-N
MW419.50 g/mol
LogP4.66
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide

N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide (PubChem CID 8719979) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
PubChem CID8719979
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC NameN-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
SMILESCCc1ccc([C@@H](NCC(=O)Nc2ccc(NC(C)=O)cc2)c2cccc(F)c2)cc1
InChIInChI=1S/C25H26FN3O2/c1-3-18-7-9-19(10-8-18)25(20-5-4-6-21(26)15-20)27-16-24(31)29-23-13-11-22(12-14-23)28-17(2)30/h4-15,25,27H,3,16H2,1-2H3,(H,28,30)(H,29,31)/t25-/m1/s1
InChIKeySJZIZWXGYOPQLT-RUZDIDTESA-N
XLogP4.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719944
N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8720043
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393342
N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide
CID 8829914
(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8830029
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide
CID 772260
4-[[2-[[(4-fluorophenyl)-phenylmethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60537205
N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537379
(2R)-N-cyclopropyl-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8829973
N-[4-(diethylsulfamoyl)phenyl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537047

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide (CID 8719979) is N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide is CCc1ccc([C@@H](NCC(=O)Nc2ccc(NC(C)=O)cc2)c2cccc(F)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide?
The InChIKey is SJZIZWXGYOPQLT-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-3-18-7-9-19(10-8-18)25(20-5-4-6-21(26)15-20)27-16-24(31)29-23-13-11-22(12-14-23)28-17(2)30/h4-15,25,27H,3,16H2,1-2H3,(H,28,30)(H,29,31)/t25-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide?
N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide has a molecular weight of 419.50 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 8719979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).