3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide

C17H18ClN3O3 — CID 167836216

IUPAC3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCc1ccccn1)C(=O)CNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C17H18ClN3O3/c1-21(9-7-13-4-2-3-8-19-13)16(23)11-20-17(24)12-5-6-15(22)14(18)10-12/h2-6,8,10,22H,7,9,11H2,1H3,(H,20,24)
InChIKeyJVVWPRPRBWHJNS-UHFFFAOYSA-N
MW347.80 g/mol
LogP1.87
Rot. Bonds6

About 3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide

3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 167836216) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide
PubChem CID167836216
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCN(CCc1ccccn1)C(=O)CNC(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C17H18ClN3O3/c1-21(9-7-13-4-2-3-8-19-13)16(23)11-20-17(24)12-5-6-15(22)14(18)10-12/h2-6,8,10,22H,7,9,11H2,1H3,(H,20,24)
InChIKeyJVVWPRPRBWHJNS-UHFFFAOYSA-N
XLogP1.87
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]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

5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
1-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119873315
2-[[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111175311
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride
CID 119873300
4-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 120565270
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
2-(2-chloro-6-cyanoanilino)-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 71871162
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
(2S)-2-amino-3,3-dimethyl-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]butanamide;dihydrochloride
CID 119873322
4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 58791114
3-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-3-phenylpropanamide
CID 119953602

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide (CID 167836216) is 3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide is CN(CCc1ccccn1)C(=O)CNC(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is JVVWPRPRBWHJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-21(9-7-13-4-2-3-8-19-13)16(23)11-20-17(24)12-5-6-15(22)14(18)10-12/h2-6,8,10,22H,7,9,11H2,1H3,(H,20,24).
What are the key properties of 3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide?
3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 347.80 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 167836216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).