2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide

C17H24ClN3O2 — CID 120553451

IUPAC2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCNCC2C)c1
InChIInChI=1S/C17H24ClN3O2/c1-10(2)16(22)20-12-4-5-14(18)13(8-12)17(23)21-15-6-7-19-9-11(15)3/h4-5,8,10-11,15,19H,6-7,9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAOVWMEZVWBIGFI-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.66
Rot. Bonds4

About 2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide

2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide (PubChem CID 120553451) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
PubChem CID120553451
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCNCC2C)c1
InChIInChI=1S/C17H24ClN3O2/c1-10(2)16(22)20-12-4-5-14(18)13(8-12)17(23)21-15-6-7-19-9-11(15)3/h4-5,8,10-11,15,19H,6-7,9H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAOVWMEZVWBIGFI-UHFFFAOYSA-N
XLogP2.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)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-chloro-N-(2-methylpiperidin-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 120574011
2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120598752
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
2-chloro-5-hydroxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 106500907
2-chloro-5-(2-methylpropanoylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514843
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-chloro-5-(2-methylpropanoylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119826401

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of 2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide (CID 120553451) is 2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CCNCC2C)c1.
What is the InChIKey of 2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide?
The InChIKey is AOVWMEZVWBIGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-10(2)16(22)20-12-4-5-14(18)13(8-12)17(23)21-15-6-7-19-9-11(15)3/h4-5,8,10-11,15,19H,6-7,9H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide?
2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide has a molecular weight of 337.85 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 120553451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).