ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride

C14H20Cl2N2O4 — CID 119789268

IUPACethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)CNC(=O)c1cc(Cl)c(N)cc1OC.Cl
InChIInChI=1S/C14H19ClN2O4.ClH/c1-4-21-14(19)8(2)7-17-13(18)9-5-10(15)11(16)6-12(9)20-3;/h5-6,8H,4,7,16H2,1-3H3,(H,17,18);1H
InChIKeyDRHIKWLTEXBRAR-UHFFFAOYSA-N
MW351.23 g/mol
LogP2.28
Rot. Bonds6

About ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride

ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride (PubChem CID 119789268) has the molecular formula C14H20Cl2N2O4 and a molecular weight of 351.23 g/mol. Its IUPAC name is ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
PubChem CID119789268
Molecular FormulaC14H20Cl2N2O4
Molecular Weight351.23 g/mol
Exact Mass350.08
IUPAC Nameethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
SMILESCCOC(=O)C(C)CNC(=O)c1cc(Cl)c(N)cc1OC.Cl
InChIInChI=1S/C14H19ClN2O4.ClH/c1-4-21-14(19)8(2)7-17-13(18)9-5-10(15)11(16)6-12(9)20-3;/h5-6,8H,4,7,16H2,1-3H3,(H,17,18);1H
InChIKeyDRHIKWLTEXBRAR-UHFFFAOYSA-N
XLogP2.28
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-phenylpropanoate
CID 119805474
4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride
CID 119841843
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569
4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide
CID 119734148
4-amino-5-chloro-N-[2-(diethylamino)-2-phenylethyl]-2-methoxybenzamide
CID 119399247
4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
CID 119719615
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737
methyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 119778002
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789399

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride?
The IUPAC name of ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride (CID 119789268) is ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride?
The canonical SMILES for ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride is CCOC(=O)C(C)CNC(=O)c1cc(Cl)c(N)cc1OC.Cl.
What is the InChIKey of ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride?
The InChIKey is DRHIKWLTEXBRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4.ClH/c1-4-21-14(19)8(2)7-17-13(18)9-5-10(15)11(16)6-12(9)20-3;/h5-6,8H,4,7,16H2,1-3H3,(H,17,18);1H.
What are the key properties of ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride?
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride has a molecular weight of 351.23 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 119789268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).