4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide

C18H21ClN2O3 — CID 119734954

IUPAC4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCOc1c(C)cccc1C
InChIInChI=1S/C18H21ClN2O3/c1-11-5-4-6-12(2)17(11)24-8-7-21-18(22)13-9-14(19)15(20)10-16(13)23-3/h4-6,9-10H,7-8,20H2,1-3H3,(H,21,22)
InChIKeyIECNPJGQVOLIGX-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.36
Rot. Bonds6

About 4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide

4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide (PubChem CID 119734954) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide
PubChem CID119734954
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCCOc1c(C)cccc1C
InChIInChI=1S/C18H21ClN2O3/c1-11-5-4-6-12(2)17(11)24-8-7-21-18(22)13-9-14(19)15(20)10-16(13)23-3/h4-6,9-10H,7-8,20H2,1-3H3,(H,21,22)
InChIKeyIECNPJGQVOLIGX-UHFFFAOYSA-N
XLogP3.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide 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

4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
CID 119797688
4-amino-5-chloro-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide
CID 12861895
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
CID 119763146
4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
CID 119892903
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448
N-[2-(2,6-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 17386421
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
CID 10617240
2-chloro-4,5-dimethoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 86574521

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide (CID 119734954) is 4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide is COc1cc(N)c(Cl)cc1C(=O)NCCOc1c(C)cccc1C.
What is the InChIKey of 4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide?
The InChIKey is IECNPJGQVOLIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-11-5-4-6-12(2)17(11)24-8-7-21-18(22)13-9-14(19)15(20)10-16(13)23-3/h4-6,9-10H,7-8,20H2,1-3H3,(H,21,22).
What are the key properties of 4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide has a molecular weight of 348.83 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 119734954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).