2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide

C11H12F2N2O — CID 156724318

IUPAC2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide
SMILESNC(=O)CNC1(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C11H12F2N2O/c12-8-2-1-7(5-9(8)13)11(3-4-11)15-6-10(14)16/h1-2,5,15H,3-4,6H2,(H2,14,16)
InChIKeyKPHFDNGLVOINQW-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.03
Rot. Bonds4

About 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide

2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide (PubChem CID 156724318) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide.

Molecular Properties

Compound Name2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide
PubChem CID156724318
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide
SMILESNC(=O)CNC1(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C11H12F2N2O/c12-8-2-1-7(5-9(8)13)11(3-4-11)15-6-10(14)16/h1-2,5,15H,3-4,6H2,(H2,14,16)
InChIKeyKPHFDNGLVOINQW-UHFFFAOYSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide?
The IUPAC name of 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide (CID 156724318) is 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide.
What is the SMILES notation for 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide?
The canonical SMILES for 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide is NC(=O)CNC1(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide?
The InChIKey is KPHFDNGLVOINQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c12-8-2-1-7(5-9(8)13)11(3-4-11)15-6-10(14)16/h1-2,5,15H,3-4,6H2,(H2,14,16).
What are the key properties of 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide?
2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide has a molecular weight of 226.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]acetamide is sourced from PubChem (CID 156724318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).