2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide

C10H12ClFN2O — CID 82495342

IUPAC2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide
SMILESNCC(=O)NCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c11-8-5-7(1-2-9(8)12)3-4-14-10(15)6-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyQXINAXXHQXTMLG-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide

2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide (PubChem CID 82495342) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide
PubChem CID82495342
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide
SMILESNCC(=O)NCCc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H12ClFN2O/c11-8-5-7(1-2-9(8)12)3-4-14-10(15)6-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyQXINAXXHQXTMLG-UHFFFAOYSA-N
XLogP1.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
5-[2-(3-Chlorophenyl)ethyl]-1,4-dihydropyrazine-2,3-dione
CID 166951493
5-[2-(4-Chlorophenyl)ethyl]-1,4-dihydropyrazine-2,3-dione
CID 166951497
1-(N-Acetylamino)-2-(4-chlorophenyl)-ethane
CID 9877644
N-[2-(4-chlorophenyl)ethyl]-N'-methylethanediamide
CID 2266182
(E)-3-(2-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 1122223
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide (CID 82495342) is 2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide is NCC(=O)NCCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide?
The InChIKey is QXINAXXHQXTMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-8-5-7(1-2-9(8)12)3-4-14-10(15)6-13/h1-2,5H,3-4,6,13H2,(H,14,15).
What are the key properties of 2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide?
2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide has a molecular weight of 230.67 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-chloro-4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 82495342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).