4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride

C18H22Cl2N2O4 — CID 119797688

IUPAC4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
SMILESCOc1cccc(OCCCNC(=O)c2cc(Cl)c(N)cc2OC)c1.Cl
InChIInChI=1S/C18H21ClN2O4.ClH/c1-23-12-5-3-6-13(9-12)25-8-4-7-21-18(22)14-10-15(19)16(20)11-17(14)24-2;/h3,5-6,9-11H,4,7-8,20H2,1-2H3,(H,21,22);1H
InChIKeyWHQQPDUWAZKLGV-UHFFFAOYSA-N
MW401.29 g/mol
LogP3.56
Rot. Bonds8

About 4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride (PubChem CID 119797688) has the molecular formula C18H22Cl2N2O4 and a molecular weight of 401.29 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
PubChem CID119797688
Molecular FormulaC18H22Cl2N2O4
Molecular Weight401.29 g/mol
Exact Mass400.10
IUPAC Name4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
SMILESCOc1cccc(OCCCNC(=O)c2cc(Cl)c(N)cc2OC)c1.Cl
InChIInChI=1S/C18H21ClN2O4.ClH/c1-23-12-5-3-6-13(9-12)25-8-4-7-21-18(22)14-10-15(19)16(20)11-17(14)24-2;/h3,5-6,9-11H,4,7-8,20H2,1-2H3,(H,21,22);1H
InChIKeyWHQQPDUWAZKLGV-UHFFFAOYSA-N
XLogP3.56
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 119734954
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
2,4-dimethoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 27039874
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
CID 119763146
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521
4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903
4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
CID 119719615
4-amino-5-chloro-2-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]benzamide;hydrochloride
CID 119742833
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
methyl 4-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]phenoxy]butanoate;hydrochloride
CID 119784217

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride (CID 119797688) is 4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride is COc1cccc(OCCCNC(=O)c2cc(Cl)c(N)cc2OC)c1.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride?
The InChIKey is WHQQPDUWAZKLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4.ClH/c1-23-12-5-3-6-13(9-12)25-8-4-7-21-18(22)14-10-15(19)16(20)11-17(14)24-2;/h3,5-6,9-11H,4,7-8,20H2,1-2H3,(H,21,22);1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride?
4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride has a molecular weight of 401.29 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119797688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).