2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide

C10H12ClFN2O — CID 115260137

IUPAC2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide
SMILESNC(=O)CNCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c11-8-5-7(1-2-9(8)12)3-4-14-6-10(13)15/h1-2,5,14H,3-4,6H2,(H2,13,15)
InChIKeyUDPQYGUXJLGYED-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.10
Rot. Bonds5

About 2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide

2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide (PubChem CID 115260137) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide
PubChem CID115260137
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide
SMILESNC(=O)CNCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c11-8-5-7(1-2-9(8)12)3-4-14-6-10(13)15/h1-2,5,14H,3-4,6H2,(H2,13,15)
InChIKeyUDPQYGUXJLGYED-UHFFFAOYSA-N
XLogP1.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
5-[2-(3-Chlorophenyl)ethyl]-1,4-dihydropyrazine-2,3-dione
CID 166951493
N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9877644
N-[2-(4-chlorophenyl)ethyl]-N'-methylethanediamide
CID 2266182
Acetamide, 2-chloro-N-(m-chlorophenethyl)-
CID 214756
N-[2-(4-chlorophenyl)ethyl]-N'-ethylethanediamide
CID 2204743
N-[2-(4-chlorophenyl)ethyl]-2-formamidoacetamide
CID 3244484
N-[3-(3-chlorophenyl)propyl]butanamide
CID 10490188
N-[3-(3-chlorophenyl)propyl]acetamide
CID 10774874
N-[2-(3-chlorophenyl)ethyl]acetamide
CID 4430301
N-[2-(2-chlorophenyl)ethyl]acetamide
CID 10397817
2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4781380

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide?
The IUPAC name of 2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide (CID 115260137) is 2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide.
What is the SMILES notation for 2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide?
The canonical SMILES for 2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide is NC(=O)CNCCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide?
The InChIKey is UDPQYGUXJLGYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-8-5-7(1-2-9(8)12)3-4-14-6-10(13)15/h1-2,5,14H,3-4,6H2,(H2,13,15).
What are the key properties of 2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide?
2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide has a molecular weight of 230.67 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-4-fluorophenyl)ethylamino]acetamide is sourced from PubChem (CID 115260137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).