2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide

C18H20FN3O2 — CID 34450279

IUPAC2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESO=C(CNC(=O)NCc1ccccc1)NCCc1cccc(F)c1
InChIInChI=1S/C18H20FN3O2/c19-16-8-4-7-14(11-16)9-10-20-17(23)13-22-18(24)21-12-15-5-2-1-3-6-15/h1-8,11H,9-10,12-13H2,(H,20,23)(H2,21,22,24)
InChIKeyUWMXXUVLMVYSSB-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.98
Rot. Bonds7

About 2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide

2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide (PubChem CID 34450279) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
PubChem CID34450279
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESO=C(CNC(=O)NCc1ccccc1)NCCc1cccc(F)c1
InChIInChI=1S/C18H20FN3O2/c19-16-8-4-7-14(11-16)9-10-20-17(23)13-22-18(24)21-12-15-5-2-1-3-6-15/h1-8,11H,9-10,12-13H2,(H,20,23)(H2,21,22,24)
InChIKeyUWMXXUVLMVYSSB-UHFFFAOYSA-N
XLogP1.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
1-[(3-fluorophenyl)methyl]-3-(2-phenylethyl)urea
CID 47172429
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
2-[(4-methylphenyl)methylcarbamoylamino]-N-(2-phenylethyl)acetamide
CID 51530628
1-[2-(4-fluorophenyl)ethyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898570
1-[2-(3-fluorophenyl)ethyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 108901185
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 24606211
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26463062
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
2-[[2-(benzylcarbamoylamino)acetyl]amino]acetic acid
CID 61181658
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346

Frequently Asked Questions

What is the IUPAC name of 2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide (CID 34450279) is 2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide is O=C(CNC(=O)NCc1ccccc1)NCCc1cccc(F)c1.
What is the InChIKey of 2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide?
The InChIKey is UWMXXUVLMVYSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-16-8-4-7-14(11-16)9-10-20-17(23)13-22-18(24)21-12-15-5-2-1-3-6-15/h1-8,11H,9-10,12-13H2,(H,20,23)(H2,21,22,24).
What are the key properties of 2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide?
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 329.38 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 34450279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).