4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride

C19H23Cl2N3O3 — CID 119950265

IUPAC4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCNC(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O3.ClH/c1-26-10-9-22-19(25)15-8-7-14(11-16(15)20)23-18(24)12-17(21)13-5-3-2-4-6-13;/h2-8,11,17H,9-10,12,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyDIQXQZBVSHUECP-UHFFFAOYSA-N
MW412.32 g/mol
LogP3.17
Rot. Bonds8

About 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride

4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride (PubChem CID 119950265) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
PubChem CID119950265
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC Name4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCNC(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl.Cl
InChIInChI=1S/C19H22ClN3O3.ClH/c1-26-10-9-22-19(25)15-8-7-14(11-16(15)20)23-18(24)12-17(21)13-5-3-2-4-6-13;/h2-8,11,17H,9-10,12,21H2,1H3,(H,22,25)(H,23,24);1H
InChIKeyDIQXQZBVSHUECP-UHFFFAOYSA-N
XLogP3.17
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 53.17
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-methylbutan-2-yl)benzamide
CID 119950281
4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 120589553
3-amino-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 43105358
N-[3-[3-chloro-4-(2-methoxyethylcarbamoyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55877259
4-[(4-amino-3-methoxybutanoyl)amino]-2-chloro-N-propylbenzamide
CID 120590141
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
3-amino-N-[4-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949874
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-chloro-N-propylbenzamide;hydrochloride
CID 119747993
3-amino-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpropanamide
CID 119949876
4-[(3-amino-3-phenylpropanoyl)amino]-N-propylbenzamide
CID 119950298
4-[3-(1,3-benzothiazol-2-yl)propanoylamino]-2-chloro-N-(2-methoxyethyl)benzamide
CID 55876746
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949566

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
The IUPAC name of 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride (CID 119950265) is 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride is COCCNC(=O)c1ccc(NC(=O)CC(N)c2ccccc2)cc1Cl.Cl.
What is the InChIKey of 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
The InChIKey is DIQXQZBVSHUECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3.ClH/c1-26-10-9-22-19(25)15-8-7-14(11-16(15)20)23-18(24)12-17(21)13-5-3-2-4-6-13;/h2-8,11,17H,9-10,12,21H2,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride has a molecular weight of 412.32 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride is sourced from PubChem (CID 119950265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).