5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride

C19H23Cl2N3O2 — CID 120620961

IUPAC5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(N)ccc2C)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O2.ClH/c1-4-23(5-2)19(25)15-9-8-14(11-17(15)20)22-18(24)16-10-13(21)7-6-12(16)3;/h6-11H,4-5,21H2,1-3H3,(H,22,24);1H
InChIKeyDIWMHBMLJBHZIH-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.39
Rot. Bonds5

About 5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride

5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride (PubChem CID 120620961) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is 5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
PubChem CID120620961
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC Name5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(N)ccc2C)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O2.ClH/c1-4-23(5-2)19(25)15-9-8-14(11-17(15)20)22-18(24)16-10-13(21)7-6-12(16)3;/h6-11H,4-5,21H2,1-3H3,(H,22,24);1H
InChIKeyDIWMHBMLJBHZIH-UHFFFAOYSA-N
XLogP4.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3,4-dichlorophenyl)-2-methylbenzamide
CID 61291913
5-(tert-butylsulfamoyl)-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
CID 55673324
4-[[2-(4-aminophenyl)acetyl]amino]-2-chloro-N,N-diethylbenzamide
CID 119712519
5-amino-N-[6-(diethylamino)-3-pyridinyl]-2-methylbenzamide;dihydrochloride
CID 120641638
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119712534
2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 34746930
4-[(2-bromo-5-methoxybenzoyl)amino]-2-chloro-N,N-diethylbenzamide
CID 55673108
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120621032
4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 102990858
4-amino-2-chloro-N-[6-(diethylamino)-3-pyridinyl]benzamide
CID 119845916
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119283382

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride (CID 120620961) is 5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(NC(=O)c2cc(N)ccc2C)cc1Cl.Cl.
What is the InChIKey of 5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride?
The InChIKey is DIWMHBMLJBHZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2.ClH/c1-4-23(5-2)19(25)15-9-8-14(11-17(15)20)22-18(24)16-10-13(21)7-6-12(16)3;/h6-11H,4-5,21H2,1-3H3,(H,22,24);1H.
What are the key properties of 5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride has a molecular weight of 396.32 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120620961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).