4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide

C15H24ClN3O3 — CID 119892903

IUPAC4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
SMILESCOCCCN(C)CCNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C15H24ClN3O3/c1-19(6-4-8-21-2)7-5-18-15(20)11-9-12(16)13(17)10-14(11)22-3/h9-10H,4-8,17H2,1-3H3,(H,18,20)
InChIKeyHBTPFZDGZXYVOR-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.63
Rot. Bonds9

About 4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide

4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide (PubChem CID 119892903) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
PubChem CID119892903
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC Name4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide
SMILESCOCCCN(C)CCNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C15H24ClN3O3/c1-19(6-4-8-21-2)7-5-18-15(20)11-9-12(16)13(17)10-14(11)22-3/h9-10H,4-8,17H2,1-3H3,(H,18,20)
InChIKeyHBTPFZDGZXYVOR-UHFFFAOYSA-N
XLogP1.63
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.63
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-2-methoxy-N-[2-[methyl-[(2-methylphenyl)methyl]amino]ethyl]benzamide
CID 12861895
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
CID 10617240
4-amino-5-chloro-2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 119672646
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]-methylamino]ethyl]-2-methoxybenzamide
CID 54543853
4-amino-5-chloro-N-[3-(ethylsulfonylamino)propyl]-2-methoxybenzamide;hydrochloride
CID 119763146
4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
CID 119797688
4-amino-5-chloro-N-(3-cyclohexyloxypropyl)-2-methoxybenzamide
CID 119693448
4-amino-5-chloro-N-[2-[(4-chlorophenyl)methyl-propan-2-ylamino]ethyl]-2-methoxybenzamide
CID 12861899
4-amino-5-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-2-methoxybenzamide
CID 119734954
4-amino-5-chloro-N-[2-[4-(dimethylamino)oxan-4-yl]ethyl]-2-methoxybenzamide
CID 10689599

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide (CID 119892903) is 4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide is COCCCN(C)CCNC(=O)c1cc(Cl)c(N)cc1OC.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide?
The InChIKey is HBTPFZDGZXYVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3/c1-19(6-4-8-21-2)7-5-18-15(20)11-9-12(16)13(17)10-14(11)22-3/h9-10H,4-8,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide has a molecular weight of 329.83 g/mol, XLogP of 1.63, 9 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-[2-[3-methoxypropyl(methyl)amino]ethyl]benzamide is sourced from PubChem (CID 119892903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).