N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide

C10H12ClFN2O — CID 110832954

IUPACN-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
SMILESNCCNC(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H12ClFN2O/c11-8-2-1-7(5-9(8)12)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyFWZHBLXLOWCBGP-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.10
Rot. Bonds4

About N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide

N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide (PubChem CID 110832954) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
PubChem CID110832954
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC NameN-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
SMILESNCCNC(=O)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H12ClFN2O/c11-8-2-1-7(5-9(8)12)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15)
InChIKeyFWZHBLXLOWCBGP-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

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CID 119407523
N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
CID 119384307
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
CID 95464919
N-(2-aminoethyl)-2-(3-chloro-4-propan-2-yloxyphenyl)acetamide
CID 95474116
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanone
CID 107890538
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
2-(4-chloro-3-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 107890556
2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 11053116
2-(4-chloro-3-fluorophenyl)-1-cyclopropylethanone
CID 107883911

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide (CID 110832954) is N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide is NCCNC(=O)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide?
The InChIKey is FWZHBLXLOWCBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-8-2-1-7(5-9(8)12)6-10(15)14-4-3-13/h1-2,5H,3-4,6,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide?
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)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 N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide is sourced from PubChem (CID 110832954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).