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

C12H14ClFN2O — CID 81145151

IUPAC2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESNC(=O)C(NCC1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFN2O/c13-9-5-8(3-4-10(9)14)11(12(15)17)16-6-7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H2,15,17)
InChIKeyPTUIMCTVXCURKH-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.01
Rot. Bonds5

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

2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide (PubChem CID 81145151) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
PubChem CID81145151
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
SMILESNC(=O)C(NCC1CC1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFN2O/c13-9-5-8(3-4-10(9)14)11(12(15)17)16-6-7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H2,15,17)
InChIKeyPTUIMCTVXCURKH-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.01
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-(cyclopropylmethylamino)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide (CID 81145151) is 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide is NC(=O)C(NCC1CC1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide?
The InChIKey is PTUIMCTVXCURKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-9-5-8(3-4-10(9)14)11(12(15)17)16-6-7-1-2-7/h3-5,7,11,16H,1-2,6H2,(H2,15,17).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide?
2-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide has a molecular weight of 256.71 g/mol, XLogP of 2.01, 5 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-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 81145151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).