5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide

C18H18ClF2N3O — CID 58483302

IUPAC5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide
SMILESNc1ccc(N2CCC(F)CC2)c(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H18ClF2N3O/c19-15-10-13(2-3-16(15)21)23-18(25)14-9-12(22)1-4-17(14)24-7-5-11(20)6-8-24/h1-4,9-11H,5-8,22H2,(H,23,25)
InChIKeyBSQVDIRXXMHGIR-UHFFFAOYSA-N
MW365.81 g/mol
LogP4.25
Rot. Bonds3

About 5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide

5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide (PubChem CID 58483302) has the molecular formula C18H18ClF2N3O and a molecular weight of 365.81 g/mol. Its IUPAC name is 5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide
PubChem CID58483302
Molecular FormulaC18H18ClF2N3O
Molecular Weight365.81 g/mol
Exact Mass365.11
IUPAC Name5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide
SMILESNc1ccc(N2CCC(F)CC2)c(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H18ClF2N3O/c19-15-10-13(2-3-16(15)21)23-18(25)14-9-12(22)1-4-17(14)24-7-5-11(20)6-8-24/h1-4,9-11H,5-8,22H2,(H,23,25)
InChIKeyBSQVDIRXXMHGIR-UHFFFAOYSA-N
XLogP4.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide?
The IUPAC name of 5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide (CID 58483302) is 5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide.
What is the SMILES notation for 5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide?
The canonical SMILES for 5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide is Nc1ccc(N2CCC(F)CC2)c(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide?
The InChIKey is BSQVDIRXXMHGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2N3O/c19-15-10-13(2-3-16(15)21)23-18(25)14-9-12(22)1-4-17(14)24-7-5-11(20)6-8-24/h1-4,9-11H,5-8,22H2,(H,23,25).
What are the key properties of 5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide?
5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide has a molecular weight of 365.81 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide is sourced from PubChem (CID 58483302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).