2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid

C11H13FN2O3 — CID 69253351

IUPAC2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c12-9-3-1-8(2-4-9)7-10(15)13-5-6-14-11(16)17/h1-4,14H,5-7H2,(H,13,15)(H,16,17)
InChIKeyYPMJCAFAWBYFRG-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.75
Rot. Bonds5

About 2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid

2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid (PubChem CID 69253351) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
PubChem CID69253351
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FN2O3/c12-9-3-1-8(2-4-9)7-10(15)13-5-6-14-11(16)17/h1-4,14H,5-7H2,(H,13,15)(H,16,17)
InChIKeyYPMJCAFAWBYFRG-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734
6-[[2-(4-fluorophenyl)acetyl]amino]hexanoic acid
CID 16793042
N-(3-amino-3-sulfanylidenepropyl)-2-(4-fluorophenyl)acetamide
CID 62666877
N-(2-aminooxyethyl)-2-(4-fluorophenyl)acetamide
CID 39243053
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
N-[3-(4-fluorophenyl)propyl]-2-(4-methylphenyl)acetamide
CID 92684324
2-(4-fluorophenyl)-N-[3-(4-methylphenyl)propyl]acetamide
CID 100706292
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 26516329
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
CID 108538687
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid?
The IUPAC name of 2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid (CID 69253351) is 2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid?
The canonical SMILES for 2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid is O=C(O)NCCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid?
The InChIKey is YPMJCAFAWBYFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-9-3-1-8(2-4-9)7-10(15)13-5-6-14-11(16)17/h1-4,14H,5-7H2,(H,13,15)(H,16,17).
What are the key properties of 2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid?
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid has a molecular weight of 240.23 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid is sourced from PubChem (CID 69253351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).