N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide

C11H11FN2O — CID 108814904

IUPACN-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide
SMILES[C-]#[N+]CC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C11H11FN2O/c1-13-8-11(15)14-6-5-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,(H,14,15)
InChIKeyILAXPCBFIMERNE-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide

N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide (PubChem CID 108814904) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide
PubChem CID108814904
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide
SMILES[C-]#[N+]CC(=O)NCCc1cccc(F)c1
InChIInChI=1S/C11H11FN2O/c1-13-8-11(15)14-6-5-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,(H,14,15)
InChIKeyILAXPCBFIMERNE-UHFFFAOYSA-N
XLogP1.40
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43566530
N-ethyl-2-[2-(3-fluorophenyl)ethylamino]acetamide
CID 43401960
2-(benzylcarbamoylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450279
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
N-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)acetamide
CID 78812799
N-[2-(4-chlorophenyl)ethyl]-2-isocyanoacetamide
CID 108814908
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide (CID 108814904) is N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide is [C-]#[N+]CC(=O)NCCc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide?
The InChIKey is ILAXPCBFIMERNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-13-8-11(15)14-6-5-9-3-2-4-10(12)7-9/h2-4,7H,5-6,8H2,(H,14,15).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide?
N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide has a molecular weight of 206.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide is sourced from PubChem (CID 108814904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).