2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one

C14H17ClF2N2O — CID 157331014

IUPAC2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one
SMILESC[C@@H]1CCN(C(=O)C(N)C(F)(F)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClF2N2O/c1-9-6-7-19(8-9)13(20)12(18)14(16,17)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8,18H2,1H3/t9-,12?/m1/s1
InChIKeySHUOFEYLXAAKAD-PKEIRNPWSA-N
MW302.75 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one

2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one (PubChem CID 157331014) has the molecular formula C14H17ClF2N2O and a molecular weight of 302.75 g/mol. Its IUPAC name is 2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one
PubChem CID157331014
Molecular FormulaC14H17ClF2N2O
Molecular Weight302.75 g/mol
Exact Mass302.10
IUPAC Name2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one
SMILESC[C@@H]1CCN(C(=O)C(N)C(F)(F)c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H17ClF2N2O/c1-9-6-7-19(8-9)13(20)12(18)14(16,17)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8,18H2,1H3/t9-,12?/m1/s1
InChIKeySHUOFEYLXAAKAD-PKEIRNPWSA-N
XLogP2.63
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one (CID 157331014) is 2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one is C[C@@H]1CCN(C(=O)C(N)C(F)(F)c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one?
The InChIKey is SHUOFEYLXAAKAD-PKEIRNPWSA-N. The full InChI is InChI=1S/C14H17ClF2N2O/c1-9-6-7-19(8-9)13(20)12(18)14(16,17)10-2-4-11(15)5-3-10/h2-5,9,12H,6-8,18H2,1H3/t9-,12?/m1/s1.
What are the key properties of 2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one?
2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one has a molecular weight of 302.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chlorophenyl)-3,3-difluoro-1-[(3R)-3-methylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 157331014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).