4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride

C19H23Cl2N3O3 — CID 120589553

IUPAC4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCNC(=O)c1ccc(NC(=O)C(C)(N)c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O3.ClH/c1-19(21,13-6-4-3-5-7-13)18(25)23-14-8-9-15(16(20)12-14)17(24)22-10-11-26-2;/h3-9,12H,10-11,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyLXYROKKKNBKXJT-UHFFFAOYSA-N
MW412.32 g/mol
LogP2.95
Rot. Bonds7

About 4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride

4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride (PubChem CID 120589553) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is 4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
PubChem CID120589553
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC Name4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCNC(=O)c1ccc(NC(=O)C(C)(N)c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O3.ClH/c1-19(21,13-6-4-3-5-7-13)18(25)23-14-8-9-15(16(20)12-14)17(24)22-10-11-26-2;/h3-9,12H,10-11,21H2,1-2H3,(H,22,24)(H,23,25);1H
InChIKeyLXYROKKKNBKXJT-UHFFFAOYSA-N
XLogP2.95
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119950265
2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide
CID 107621841
2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride
CID 120591834
2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide
CID 120588419
2-amino-N-(4-chloro-3-fluorophenyl)-2-phenylpropanamide
CID 62487359
2-amino-N-[2-(2-methoxyethoxy)ethyl]-2-phenylpropanamide
CID 55078489
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-2,3-dimethoxybenzamide
CID 55878270
4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119737826
2-chloro-4-[[2-[(2-chlorophenyl)methoxy]benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 60532900
2-chloro-4-[[2-(2-cyanophenyl)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 55877380
N-[3-[3-chloro-4-(2-methoxyethylcarbamoyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55877259

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
The IUPAC name of 4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride (CID 120589553) is 4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride is COCCNC(=O)c1ccc(NC(=O)C(C)(N)c2ccccc2)cc1Cl.Cl.
What is the InChIKey of 4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
The InChIKey is LXYROKKKNBKXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3.ClH/c1-19(21,13-6-4-3-5-7-13)18(25)23-14-8-9-15(16(20)12-14)17(24)22-10-11-26-2;/h3-9,12H,10-11,21H2,1-2H3,(H,22,24)(H,23,25);1H.
What are the key properties of 4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride has a molecular weight of 412.32 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride is sourced from PubChem (CID 120589553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).