3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide

C13H15F2N3O2 — CID 171662837

IUPAC3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide
SMILESNC(=O)c1cc(N)cc(C(=O)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C13H15F2N3O2/c14-13(15)1-3-18(4-2-13)12(20)9-5-8(11(17)19)6-10(16)7-9/h5-7H,1-4,16H2,(H2,17,19)
InChIKeyPUADUJXZIWOPHF-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.24
Rot. Bonds2

About 3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide

3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide (PubChem CID 171662837) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound Name3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide
PubChem CID171662837
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide
SMILESNC(=O)c1cc(N)cc(C(=O)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C13H15F2N3O2/c14-13(15)1-3-18(4-2-13)12(20)9-5-8(11(17)19)6-10(16)7-9/h5-7H,1-4,16H2,(H2,17,19)
InChIKeyPUADUJXZIWOPHF-UHFFFAOYSA-N
XLogP1.24
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide?
The IUPAC name of 3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide (CID 171662837) is 3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide.
What is the SMILES notation for 3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide?
The canonical SMILES for 3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide is NC(=O)c1cc(N)cc(C(=O)N2CCC(F)(F)CC2)c1.
What is the InChIKey of 3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide?
The InChIKey is PUADUJXZIWOPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c14-13(15)1-3-18(4-2-13)12(20)9-5-8(11(17)19)6-10(16)7-9/h5-7H,1-4,16H2,(H2,17,19).
What are the key properties of 3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide?
3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide has a molecular weight of 283.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 171662837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).