(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone

C12H13ClF2N2O — CID 142611641

IUPAC(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESNc1ccc(Cl)c(C(=O)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H13ClF2N2O/c13-10-2-1-8(16)7-9(10)11(18)17-5-3-12(14,15)4-6-17/h1-2,7H,3-6,16H2
InChIKeyGQBBLLOBKPCJEM-UHFFFAOYSA-N
MW274.70 g/mol
LogP2.79
Rot. Bonds1

About (5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone

(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 142611641) has the molecular formula C12H13ClF2N2O and a molecular weight of 274.70 g/mol. Its IUPAC name is (5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID142611641
Molecular FormulaC12H13ClF2N2O
Molecular Weight274.70 g/mol
Exact Mass274.07
IUPAC Name(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESNc1ccc(Cl)c(C(=O)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C12H13ClF2N2O/c13-10-2-1-8(16)7-9(10)11(18)17-5-3-12(14,15)4-6-17/h1-2,7H,3-6,16H2
InChIKeyGQBBLLOBKPCJEM-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096342
(4-amino-2-bromophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 169494840
(5-amino-2-chlorophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584913
(5-amino-2-chlorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581076
(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(5-amino-2-chlorophenyl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210819
(5-amino-2-chlorophenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789612
(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155490138
(5-amino-2-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61140481
(5-amino-2,3-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 107185070
(5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210632
(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62938056

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of (5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone (CID 142611641) is (5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone is Nc1ccc(Cl)c(C(=O)N2CCC(F)(F)CC2)c1.
What is the InChIKey of (5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is GQBBLLOBKPCJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2O/c13-10-2-1-8(16)7-9(10)11(18)17-5-3-12(14,15)4-6-17/h1-2,7H,3-6,16H2.
What are the key properties of (5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone?
(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 274.70 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 142611641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).