4-amino-N-methyl-3-phenoxybenzamide

C14H14N2O2 — CID 63357107

IUPAC4-amino-N-methyl-3-phenoxybenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-16-14(17)10-7-8-12(15)13(9-10)18-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
InChIKeyPAJJXMIWMOYAAD-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.42
Rot. Bonds3

About 4-amino-N-methyl-3-phenoxybenzamide

4-amino-N-methyl-3-phenoxybenzamide (PubChem CID 63357107) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-N-methyl-3-phenoxybenzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-phenoxybenzamide
PubChem CID63357107
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-amino-N-methyl-3-phenoxybenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-16-14(17)10-7-8-12(15)13(9-10)18-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17)
InChIKeyPAJJXMIWMOYAAD-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.42
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-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide
CID 107722490
4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
CID 63357499
4-amino-3-[2-(2-hydroxyethyl)phenoxy]-N-methylbenzamide
CID 107711871
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
3-amino-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
CID 82992637
3-amino-4-(4-bromophenoxy)-N-methylbenzamide
CID 82999872
4-amino-3-(2-chloro-4-methylphenoxy)-N-methylbenzamide
CID 63357199
4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide
CID 64855361
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-phenoxybenzamide?
The IUPAC name of 4-amino-N-methyl-3-phenoxybenzamide (CID 63357107) is 4-amino-N-methyl-3-phenoxybenzamide.
What is the SMILES notation for 4-amino-N-methyl-3-phenoxybenzamide?
The canonical SMILES for 4-amino-N-methyl-3-phenoxybenzamide is CNC(=O)c1ccc(N)c(Oc2ccccc2)c1.
What is the InChIKey of 4-amino-N-methyl-3-phenoxybenzamide?
The InChIKey is PAJJXMIWMOYAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16-14(17)10-7-8-12(15)13(9-10)18-11-5-3-2-4-6-11/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-methyl-3-phenoxybenzamide?
4-amino-N-methyl-3-phenoxybenzamide has a molecular weight of 242.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-phenoxybenzamide is sourced from PubChem (CID 63357107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).