2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide

C14H19ClFN3O — CID 117044917

IUPAC2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide
SMILESCc1cc(Cl)c(C(=O)NCC2CNCCN2C)cc1F
InChIInChI=1S/C14H19ClFN3O/c1-9-5-12(15)11(6-13(9)16)14(20)18-8-10-7-17-3-4-19(10)2/h5-6,10,17H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyROTTYCRVFWOJKW-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.42
Rot. Bonds3

About 2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide

2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide (PubChem CID 117044917) has the molecular formula C14H19ClFN3O and a molecular weight of 299.78 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide
PubChem CID117044917
Molecular FormulaC14H19ClFN3O
Molecular Weight299.78 g/mol
Exact Mass299.12
IUPAC Name2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide
SMILESCc1cc(Cl)c(C(=O)NCC2CNCCN2C)cc1F
InChIInChI=1S/C14H19ClFN3O/c1-9-5-12(15)11(6-13(9)16)14(20)18-8-10-7-17-3-4-19(10)2/h5-6,10,17H,3-4,7-8H2,1-2H3,(H,18,20)
InChIKeyROTTYCRVFWOJKW-UHFFFAOYSA-N
XLogP1.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]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

Ssr-504734
CID 9954540
Z944
CID 44540045
3-Chloro-N-(3-quinuclidinyl)benzamide
CID 2802540
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
1-(3-Chlorobenzoyl)piperazine
CID 1074765
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
PF-184298
CID 11392888
N-methyl-SSR504734
CID 11704260
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744756

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide?
The IUPAC name of 2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide (CID 117044917) is 2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide is Cc1cc(Cl)c(C(=O)NCC2CNCCN2C)cc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide?
The InChIKey is ROTTYCRVFWOJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3O/c1-9-5-12(15)11(6-13(9)16)14(20)18-8-10-7-17-3-4-19(10)2/h5-6,10,17H,3-4,7-8H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide?
2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide has a molecular weight of 299.78 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-methyl-N-[(1-methylpiperazin-2-yl)methyl]benzamide is sourced from PubChem (CID 117044917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).