2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide

C13H15Cl2FN2O — CID 120575501

IUPAC2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2FN2O/c1-7-12(3-2-4-17-7)18-13(19)8-5-11(16)10(15)6-9(8)14/h5-7,12,17H,2-4H2,1H3,(H,18,19)
InChIKeyVBJKNVVCDYHBPR-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.00
Rot. Bonds2

About 2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide

2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120575501) has the molecular formula C13H15Cl2FN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120575501
Molecular FormulaC13H15Cl2FN2O
Molecular Weight305.18 g/mol
Exact Mass304.05
IUPAC Name2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2FN2O/c1-7-12(3-2-4-17-7)18-13(19)8-5-11(16)10(15)6-9(8)14/h5-7,12,17H,2-4H2,1H3,(H,18,19)
InChIKeyVBJKNVVCDYHBPR-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide 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

2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893
2-fluoro-4,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576347
3-chloro-2-methyl-N-(2-methylpiperidin-3-yl)benzamide
CID 107098369
2-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 120574011
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
CID 120576465
5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120575162

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide (CID 120575501) is 2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is VBJKNVVCDYHBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FN2O/c1-7-12(3-2-4-17-7)18-13(19)8-5-11(16)10(15)6-9(8)14/h5-7,12,17H,2-4H2,1H3,(H,18,19).
What are the key properties of 2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide?
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 305.18 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120575501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).