4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide

C15H18ClFN2O — CID 46548528

IUPAC4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H18ClFN2O/c16-10-1-4-13(14(17)9-10)15(20)18-11-5-7-19(8-6-11)12-2-3-12/h1,4,9,11-12H,2-3,5-8H2,(H,18,20)
InChIKeyBXPSPCUWGIXOAF-UHFFFAOYSA-N
MW296.77 g/mol
LogP2.84
Rot. Bonds3

About 4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide

4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide (PubChem CID 46548528) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide
PubChem CID46548528
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1ccc(Cl)cc1F
InChIInChI=1S/C15H18ClFN2O/c16-10-1-4-13(14(17)9-10)15(20)18-11-5-7-19(8-6-11)12-2-3-12/h1,4,9,11-12H,2-3,5-8H2,(H,18,20)
InChIKeyBXPSPCUWGIXOAF-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
N-(1-cyclopropylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646277
2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
CID 62073326
2,4-dichloro-N-(1-cyclohexylpyrrolidin-3-yl)benzamide
CID 12898848
2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 79720090
2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
CID 60728134
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(4-hydroxycyclohexyl)benzamide
CID 25279312
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
CID 63110384
2-chloro-N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-5-fluorobenzamide
CID 129357673
5-chloro-N-cycloheptyl-2-fluorobenzamide
CID 9082182
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide (CID 46548528) is 4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide is O=C(NC1CCN(C2CC2)CC1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide?
The InChIKey is BXPSPCUWGIXOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c16-10-1-4-13(14(17)9-10)15(20)18-11-5-7-19(8-6-11)12-2-3-12/h1,4,9,11-12H,2-3,5-8H2,(H,18,20).
What are the key properties of 4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide?
4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide has a molecular weight of 296.77 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide is sourced from PubChem (CID 46548528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).