N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide

C13H18ClFN2O — CID 99826639

IUPACN-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC(C)(C)c1cccc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O/c1-13(2,16-11(18)8-17(3)4)9-6-5-7-10(14)12(9)15/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyACKHBDBSVIEOEO-UHFFFAOYSA-N
MW272.75 g/mol
LogP2.39
Rot. Bonds4

About N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide

N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide (PubChem CID 99826639) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide
PubChem CID99826639
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC NameN-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)NC(C)(C)c1cccc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O/c1-13(2,16-11(18)8-17(3)4)9-6-5-7-10(14)12(9)15/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyACKHBDBSVIEOEO-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide (CID 99826639) is N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide is CN(C)CC(=O)NC(C)(C)c1cccc(Cl)c1F.
What is the InChIKey of N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide?
The InChIKey is ACKHBDBSVIEOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c1-13(2,16-11(18)8-17(3)4)9-6-5-7-10(14)12(9)15/h5-7H,8H2,1-4H3,(H,16,18).
What are the key properties of N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide?
N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide has a molecular weight of 272.75 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 99826639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).