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

C15H14BrClN2O2 — CID 114478979

IUPAC4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COc1c(N)cc(Cl)cc1Br
InChIInChI=1S/C15H14BrClN2O2/c1-8-4-9(15(19)20)2-3-10(8)7-21-14-12(16)5-11(17)6-13(14)18/h2-6H,7,18H2,1H3,(H2,19,20)
InChIKeyNDECMPRYKXADHB-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.67
Rot. Bonds4

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

4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide (PubChem CID 114478979) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide
PubChem CID114478979
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COc1c(N)cc(Cl)cc1Br
InChIInChI=1S/C15H14BrClN2O2/c1-8-4-9(15(19)20)2-3-10(8)7-21-14-12(16)5-11(17)6-13(14)18/h2-6H,7,18H2,1H3,(H2,19,20)
InChIKeyNDECMPRYKXADHB-UHFFFAOYSA-N
XLogP3.67
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.67
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-bromophenoxy)methyl]-3-methylbenzamide
CID 114479028
4-[(2-amino-6-bromo-4-fluorophenoxy)methyl]-3-chlorobenzamide
CID 102663149
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide
CID 102663198
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114482373
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
3-bromo-2-[(4-bromo-2-fluorophenyl)methoxy]-5-chloroaniline
CID 43438663
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
4-[(2-amino-5-methoxyphenoxy)methyl]-3-methylbenzamide
CID 102702450
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
3-bromo-5-chloro-2-[(3-methylphenyl)methoxy]aniline
CID 43379204

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide (CID 114478979) is 4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1COc1c(N)cc(Cl)cc1Br.
What is the InChIKey of 4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide?
The InChIKey is NDECMPRYKXADHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c1-8-4-9(15(19)20)2-3-10(8)7-21-14-12(16)5-11(17)6-13(14)18/h2-6H,7,18H2,1H3,(H2,19,20).
What are the key properties of 4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide?
4-[(2-amino-6-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide has a molecular weight of 369.65 g/mol, XLogP of 3.67, 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-bromo-4-chlorophenoxy)methyl]-3-methylbenzamide is sourced from PubChem (CID 114478979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).