3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide

C15H15ClN2O2 — CID 43376923

IUPAC3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
SMILESCc1ccc(Cl)c(OCc2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C15H15ClN2O2/c1-9-2-5-12(16)14(6-9)20-8-11-4-3-10(15(18)19)7-13(11)17/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyGGEHFIVGGDHPJJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.91
Rot. Bonds4

About 3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide

3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide (PubChem CID 43376923) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
PubChem CID43376923
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
SMILESCc1ccc(Cl)c(OCc2ccc(C(N)=O)cc2N)c1
InChIInChI=1S/C15H15ClN2O2/c1-9-2-5-12(16)14(6-9)20-8-11-4-3-10(15(18)19)7-13(11)17/h2-7H,8,17H2,1H3,(H2,18,19)
InChIKeyGGEHFIVGGDHPJJ-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

3-amino-4-[(2-methoxy-4-methylphenoxy)methyl]benzamide
CID 43376560
5-bromo-2-[(2-chloro-5-methylphenoxy)methyl]aniline
CID 114380808
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
CID 102670681
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
3-chloro-4-[(2-chloro-5-methylphenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667635
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
4-[(2-chloro-5-methylphenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483760
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244
3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline
CID 43509419
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?
The IUPAC name of 3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide (CID 43376923) is 3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide is Cc1ccc(Cl)c(OCc2ccc(C(N)=O)cc2N)c1.
What is the InChIKey of 3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?
The InChIKey is GGEHFIVGGDHPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-2-5-12(16)14(6-9)20-8-11-4-3-10(15(18)19)7-13(11)17/h2-7H,8,17H2,1H3,(H2,18,19).
What are the key properties of 3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?
3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide 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 3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 43376923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).