4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide

C12H18ClN3O2 — CID 122080226

IUPAC4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C12H18ClN3O2/c1-15-4-3-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5,14H2,1-2H3,(H,16,17)
InChIKeyGDEKANXBWNIDJP-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.27
Rot. Bonds6

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

4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide (PubChem CID 122080226) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
PubChem CID122080226
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C12H18ClN3O2/c1-15-4-3-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5,14H2,1-2H3,(H,16,17)
InChIKeyGDEKANXBWNIDJP-UHFFFAOYSA-N
XLogP1.27
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-chloro-4-iodo-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 119432128
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
4-amino-5-chloro-2-methoxy-N-[3-(3-methoxyphenoxy)propyl]benzamide;hydrochloride
CID 119797688
4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 122080182
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methoxybenzamide
CID 119681221
4-amino-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 4784712
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
CID 10617240
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
4-amino-5-chloro-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methoxybenzamide
CID 119901818

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide (CID 122080226) is 4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1cc(Cl)c(N)cc1OC.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide?
The InChIKey is GDEKANXBWNIDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-15-4-3-5-16-12(17)8-6-9(13)10(14)7-11(8)18-2/h6-7,15H,3-5,14H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide has a molecular weight of 271.75 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 122080226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).