3-amino-4-(4-bromophenoxy)-N-methylbenzamide

C14H13BrN2O2 — CID 82999872

IUPAC3-amino-4-(4-bromophenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2ccc(Br)cc2)c(N)c1
InChIInChI=1S/C14H13BrN2O2/c1-17-14(18)9-2-7-13(12(16)8-9)19-11-5-3-10(15)4-6-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyAQRMBAQSXZLMON-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.18
Rot. Bonds3

About 3-amino-4-(4-bromophenoxy)-N-methylbenzamide

3-amino-4-(4-bromophenoxy)-N-methylbenzamide (PubChem CID 82999872) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-amino-4-(4-bromophenoxy)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(4-bromophenoxy)-N-methylbenzamide
PubChem CID82999872
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-amino-4-(4-bromophenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Oc2ccc(Br)cc2)c(N)c1
InChIInChI=1S/C14H13BrN2O2/c1-17-14(18)9-2-7-13(12(16)8-9)19-11-5-3-10(15)4-6-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyAQRMBAQSXZLMON-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.18
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-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417
3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237
3-amino-N-methyl-4-(4-propylphenoxy)benzamide
CID 82992638
tert-butyl N-[4-[2-amino-4-[(4-bromophenyl)carbamoyl]phenoxy]phenyl]carbamate
CID 67040083
3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide
CID 83000242
3-amino-4-(3-ethoxyphenoxy)-N-methylbenzamide
CID 82992637
3-(4-bromophenoxy)-N-methylbenzamide
CID 169337021
3-amino-4-(3-cyanophenoxy)-N-methylbenzamide
CID 78984165
4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide
CID 83000096
4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide
CID 107722490
3-amino-N-methyl-4-(trifluoromethoxy)benzamide
CID 116628466

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-bromophenoxy)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(4-bromophenoxy)-N-methylbenzamide (CID 82999872) is 3-amino-4-(4-bromophenoxy)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(4-bromophenoxy)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(4-bromophenoxy)-N-methylbenzamide is CNC(=O)c1ccc(Oc2ccc(Br)cc2)c(N)c1.
What is the InChIKey of 3-amino-4-(4-bromophenoxy)-N-methylbenzamide?
The InChIKey is AQRMBAQSXZLMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-17-14(18)9-2-7-13(12(16)8-9)19-11-5-3-10(15)4-6-11/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-4-(4-bromophenoxy)-N-methylbenzamide?
3-amino-4-(4-bromophenoxy)-N-methylbenzamide has a molecular weight of 321.17 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-bromophenoxy)-N-methylbenzamide is sourced from PubChem (CID 82999872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).