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

C11H14ClFN2O — CID 81144918

IUPAC2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide
SMILESCCCNC(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-2-5-15-10(11(14)16)7-3-4-9(13)8(12)6-7/h3-4,6,10,15H,2,5H2,1H3,(H2,14,16)
InChIKeyKWMOPEDDIHASGE-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.01
Rot. Bonds5

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

2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide (PubChem CID 81144918) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide
PubChem CID81144918
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide
SMILESCCCNC(C(N)=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c1-2-5-15-10(11(14)16)7-3-4-9(13)8(12)6-7/h3-4,6,10,15H,2,5H2,1H3,(H2,14,16)
InChIKeyKWMOPEDDIHASGE-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
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-(propylamino)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide (CID 81144918) is 2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide is CCCNC(C(N)=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide?
The InChIKey is KWMOPEDDIHASGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c1-2-5-15-10(11(14)16)7-3-4-9(13)8(12)6-7/h3-4,6,10,15H,2,5H2,1H3,(H2,14,16).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide?
2-(3-chloro-4-fluorophenyl)-2-(propylamino)acetamide has a molecular weight of 244.70 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-(propylamino)acetamide is sourced from PubChem (CID 81144918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).