3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one

C11H13ClFNO — CID 117331420

IUPAC3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one
SMILESCCc1cc(C(=O)CCN)cc(Cl)c1F
InChIInChI=1S/C11H13ClFNO/c1-2-7-5-8(10(15)3-4-14)6-9(12)11(7)13/h5-6H,2-4,14H2,1H3
InChIKeyUGDUJBDEBWUQKD-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.57
Rot. Bonds4

About 3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one

3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one (PubChem CID 117331420) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one
PubChem CID117331420
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one
SMILESCCc1cc(C(=O)CCN)cc(Cl)c1F
InChIInChI=1S/C11H13ClFNO/c1-2-7-5-8(10(15)3-4-14)6-9(12)11(7)13/h5-6H,2-4,14H2,1H3
InChIKeyUGDUJBDEBWUQKD-UHFFFAOYSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one (CID 117331420) is 3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one is CCc1cc(C(=O)CCN)cc(Cl)c1F.
What is the InChIKey of 3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one?
The InChIKey is UGDUJBDEBWUQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-2-7-5-8(10(15)3-4-14)6-9(12)11(7)13/h5-6H,2-4,14H2,1H3.
What are the key properties of 3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one?
3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one has a molecular weight of 229.68 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one is sourced from PubChem (CID 117331420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).