4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide

C15H15ClN2O2 — CID 102663198

IUPAC4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide
SMILESCc1cccc(N)c1OCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-3-2-4-13(17)14(9)20-8-11-6-5-10(15(18)19)7-12(11)16/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyHRZJADCULASIDG-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.91
Rot. Bonds4

About 4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide

4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide (PubChem CID 102663198) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide
PubChem CID102663198
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide
SMILESCc1cccc(N)c1OCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-3-2-4-13(17)14(9)20-8-11-6-5-10(15(18)19)7-12(11)16/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyHRZJADCULASIDG-UHFFFAOYSA-N
XLogP2.91
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180
4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide
CID 114479028
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzamide
CID 91682780
4-[(2-amino-6-bromo-4-fluorophenoxy)methyl]-3-chlorobenzamide
CID 102663149
3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
CID 102670676
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114478979
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
CID 102670681

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide?
The IUPAC name of 4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide (CID 102663198) is 4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide is Cc1cccc(N)c1OCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide?
The InChIKey is HRZJADCULASIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-3-2-4-13(17)14(9)20-8-11-6-5-10(15(18)19)7-12(11)16/h2-7H,8,17H2,1H3,(H2,18,19).
What are the key properties of 4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide?
4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide has a molecular weight of 290.75 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide is sourced from PubChem (CID 102663198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).