N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

C20H23FN4O3 — CID 55599538

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CNC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN4O3/c1-13(16-4-3-5-18(10-16)25-14(2)26)24-19(27)12-23-20(28)22-11-15-6-8-17(21)9-7-15/h3-10,13H,11-12H2,1-2H3,(H,24,27)(H,25,26)(H2,22,23,28)
InChIKeyOKTKVNWVQXKUBC-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.46
Rot. Bonds7

About N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (PubChem CID 55599538) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
PubChem CID55599538
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCC(=O)Nc1cccc(C(C)NC(=O)CNC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN4O3/c1-13(16-4-3-5-18(10-16)25-14(2)26)24-19(27)12-23-20(28)22-11-15-6-8-17(21)9-7-15/h3-10,13H,11-12H2,1-2H3,(H,24,27)(H,25,26)(H2,22,23,28)
InChIKeyOKTKVNWVQXKUBC-UHFFFAOYSA-N
XLogP2.46
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46580612
3-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]-N-methylbenzamide
CID 46585354
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
2-[(4-methylphenyl)methylcarbamoylamino]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 24609966
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide
CID 49277700
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[1-(3-acetamidophenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46580356
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (CID 55599538) is N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is CC(=O)Nc1cccc(C(C)NC(=O)CNC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is OKTKVNWVQXKUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-13(16-4-3-5-18(10-16)25-14(2)26)24-19(27)12-23-20(28)22-11-15-6-8-17(21)9-7-15/h3-10,13H,11-12H2,1-2H3,(H,24,27)(H,25,26)(H2,22,23,28).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 386.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 55599538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).