2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide

C11H12ClFN2O — CID 81145056

IUPAC2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide
SMILESNC(=O)C(NC1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFN2O/c12-8-5-6(1-4-9(8)13)10(11(14)16)15-7-2-3-7/h1,4-5,7,10,15H,2-3H2,(H2,14,16)
InChIKeyXJUBRHFTPOKUEC-UHFFFAOYSA-N
MW242.68 g/mol
LogP1.76
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide

2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide (PubChem CID 81145056) has the molecular formula C11H12ClFN2O and a molecular weight of 242.68 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide
PubChem CID81145056
Molecular FormulaC11H12ClFN2O
Molecular Weight242.68 g/mol
Exact Mass242.06
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide
SMILESNC(=O)C(NC1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H12ClFN2O/c12-8-5-6(1-4-9(8)13)10(11(14)16)15-7-2-3-7/h1,4-5,7,10,15H,2-3H2,(H2,14,16)
InChIKeyXJUBRHFTPOKUEC-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.68
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide (CID 81145056) is 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide is NC(=O)C(NC1CC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
The InChIKey is XJUBRHFTPOKUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O/c12-8-5-6(1-4-9(8)13)10(11(14)16)15-7-2-3-7/h1,4-5,7,10,15H,2-3H2,(H2,14,16).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide?
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide has a molecular weight of 242.68 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 81145056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).