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

C14H12Cl2N2O2 — CID 107716241

IUPAC4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(COc2c(N)cccc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-10-2-1-3-12(17)13(10)20-7-9-5-4-8(14(18)19)6-11(9)16/h1-6H,7,17H2,(H2,18,19)
InChIKeyVIUSOYHREARQMA-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.25
Rot. Bonds4

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

4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide (PubChem CID 107716241) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
PubChem CID107716241
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(COc2c(N)cccc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-10-2-1-3-12(17)13(10)20-7-9-5-4-8(14(18)19)6-11(9)16/h1-6H,7,17H2,(H2,18,19)
InChIKeyVIUSOYHREARQMA-UHFFFAOYSA-N
XLogP3.25
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.25
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-methylphenoxy)methyl]-3-chlorobenzamide
CID 102663198
4-[(2-amino-6-bromo-4-fluorophenoxy)methyl]-3-chlorobenzamide
CID 102663149
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide
CID 114479028
3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
CID 102670676
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate
CID 102669562
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
CID 107396670

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide?
The IUPAC name of 4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide (CID 107716241) is 4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide is NC(=O)c1ccc(COc2c(N)cccc2Cl)c(Cl)c1.
What is the InChIKey of 4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide?
The InChIKey is VIUSOYHREARQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-10-2-1-3-12(17)13(10)20-7-9-5-4-8(14(18)19)6-11(9)16/h1-6H,7,17H2,(H2,18,19).
What are the key properties of 4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide?
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide has a molecular weight of 311.17 g/mol, XLogP of 3.25, 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-chlorophenoxy)methyl]-3-chlorobenzamide is sourced from PubChem (CID 107716241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).