2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide

C17H18ClN3O3 — CID 122156506

IUPAC2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide
SMILESCc1ccc(O)c(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)c1
InChIInChI=1S/C17H18ClN3O3/c1-10-4-7-15(22)14(8-10)20-16(23)12-6-5-11(9-13(12)18)19-17(24)21(2)3/h4-9,22H,1-3H3,(H,19,24)(H,20,23)
InChIKeyOBPCKJQCSSRLQW-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.70
Rot. Bonds3

About 2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide

2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide (PubChem CID 122156506) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide
PubChem CID122156506
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide
SMILESCc1ccc(O)c(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)c1
InChIInChI=1S/C17H18ClN3O3/c1-10-4-7-15(22)14(8-10)20-16(23)12-6-5-11(9-13(12)18)19-17(24)21(2)3/h4-9,22H,1-3H3,(H,19,24)(H,20,23)
InChIKeyOBPCKJQCSSRLQW-UHFFFAOYSA-N
XLogP3.70
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)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-(3-fluoro-4-hydroxyphenyl)-4-methylbenzamide
CID 106861638
2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide
CID 138044558
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-methylbenzamide
CID 106509889
N-(2-chloro-5-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 103769568
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 3359174
N-(4-chloro-3-hydroxyphenyl)-2,4-dimethylbenzamide
CID 64788271
3-(3,4-dichlorophenyl)-1,1-dimethylurea;1,1-dimethylurea
CID 175137173
N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide
CID 63937740
N-(2-chloro-5-methylphenyl)-2-hydroxybenzamide
CID 103769569
3-(2-hydroxy-4-methylphenyl)-1,1-dimethylurea
CID 79154521
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide?
The IUPAC name of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide (CID 122156506) is 2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide?
The canonical SMILES for 2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide is Cc1ccc(O)c(NC(=O)c2ccc(NC(=O)N(C)C)cc2Cl)c1.
What is the InChIKey of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide?
The InChIKey is OBPCKJQCSSRLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-10-4-7-15(22)14(8-10)20-16(23)12-6-5-11(9-13(12)18)19-17(24)21(2)3/h4-9,22H,1-3H3,(H,19,24)(H,20,23).
What are the key properties of 2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide?
2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide has a molecular weight of 347.80 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(dimethylcarbamoylamino)-N-(2-hydroxy-5-methylphenyl)benzamide is sourced from PubChem (CID 122156506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).