4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride

C18H22Cl2N2O5 — CID 119719615

IUPAC4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(O)CNC(=O)c2cc(Cl)c(N)cc2OC)c1.Cl
InChIInChI=1S/C18H21ClN2O5.ClH/c1-24-10-4-5-16(25-2)11(6-10)15(22)9-21-18(23)12-7-13(19)14(20)8-17(12)26-3;/h4-8,15,22H,9,20H2,1-3H3,(H,21,23);1H
InChIKeyFEPCDEMTVHGUKN-UHFFFAOYSA-N
MW417.29 g/mol
LogP2.83
Rot. Bonds7

About 4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride

4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride (PubChem CID 119719615) has the molecular formula C18H22Cl2N2O5 and a molecular weight of 417.29 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
PubChem CID119719615
Molecular FormulaC18H22Cl2N2O5
Molecular Weight417.29 g/mol
Exact Mass416.09
IUPAC Name4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(O)CNC(=O)c2cc(Cl)c(N)cc2OC)c1.Cl
InChIInChI=1S/C18H21ClN2O5.ClH/c1-24-10-4-5-16(25-2)11(6-10)15(22)9-21-18(23)12-7-13(19)14(20)8-17(12)26-3;/h4-8,15,22H,9,20H2,1-3H3,(H,21,23);1H
InChIKeyFEPCDEMTVHGUKN-UHFFFAOYSA-N
XLogP2.83
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride 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

(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
propan-2-yl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate
CID 119809764
1-(3-chloro-4-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 55696560
4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
CID 119797688
4-amino-5-chloro-N-(2-cyclohexyl-2-hydroxyethyl)-2-methoxybenzamide
CID 119731737
4-amino-5-chloro-N-[2-(dimethylamino)-4-methylpentyl]-2-methoxybenzamide;dihydrochloride
CID 119841843
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55654385
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
methyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 119778002
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride (CID 119719615) is 4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride is COc1ccc(OC)c(C(O)CNC(=O)c2cc(Cl)c(N)cc2OC)c1.Cl.
What is the InChIKey of 4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride?
The InChIKey is FEPCDEMTVHGUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5.ClH/c1-24-10-4-5-16(25-2)11(6-10)15(22)9-21-18(23)12-7-13(19)14(20)8-17(12)26-3;/h4-8,15,22H,9,20H2,1-3H3,(H,21,23);1H.
What are the key properties of 4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride?
4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride has a molecular weight of 417.29 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119719615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).