N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide

C15H22FN3O2 — CID 18088433

IUPACN-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCCCCNC(=O)NC(=O)CNC(C)c1ccccc1F
InChIInChI=1S/C15H22FN3O2/c1-3-4-9-17-15(21)19-14(20)10-18-11(2)12-7-5-6-8-13(12)16/h5-8,11,18H,3-4,9-10H2,1-2H3,(H2,17,19,20,21)
InChIKeyMEKWAHYYOIOTQD-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.10
Rot. Bonds7

About N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide

N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide (PubChem CID 18088433) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
PubChem CID18088433
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
SMILESCCCCNC(=O)NC(=O)CNC(C)c1ccccc1F
InChIInChI=1S/C15H22FN3O2/c1-3-4-9-17-15(21)19-14(20)10-18-11(2)12-7-5-6-8-13(12)16/h5-8,11,18H,3-4,9-10H2,1-2H3,(H2,17,19,20,21)
InChIKeyMEKWAHYYOIOTQD-UHFFFAOYSA-N
XLogP2.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
CID 43400999
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9306320
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81380351
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889
2-[1-(2-fluorophenyl)ethylamino]-N-pentan-3-ylacetamide
CID 60673244
N-(cyclohexylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086112
N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 81386987
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9375772
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 16770602

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide (CID 18088433) is N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide is CCCCNC(=O)NC(=O)CNC(C)c1ccccc1F.
What is the InChIKey of N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
The InChIKey is MEKWAHYYOIOTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-3-4-9-17-15(21)19-14(20)10-18-11(2)12-7-5-6-8-13(12)16/h5-8,11,18H,3-4,9-10H2,1-2H3,(H2,17,19,20,21).
What are the key properties of N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide?
N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide has a molecular weight of 295.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 18088433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).