3-amino-4-(4-chloro-2-methylphenoxy)benzamide

C14H13ClN2O2 — CID 43448530

IUPAC3-amino-4-(4-chloro-2-methylphenoxy)benzamide
SMILESCc1cc(Cl)ccc1Oc1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H13ClN2O2/c1-8-6-10(15)3-5-12(8)19-13-4-2-9(14(17)18)7-11(13)16/h2-7H,16H2,1H3,(H2,17,18)
InChIKeyAQNXQHARVVKRJG-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.12
Rot. Bonds3

About 3-amino-4-(4-chloro-2-methylphenoxy)benzamide

3-amino-4-(4-chloro-2-methylphenoxy)benzamide (PubChem CID 43448530) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 3-amino-4-(4-chloro-2-methylphenoxy)benzamide.

Molecular Properties

Compound Name3-amino-4-(4-chloro-2-methylphenoxy)benzamide
PubChem CID43448530
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name3-amino-4-(4-chloro-2-methylphenoxy)benzamide
SMILESCc1cc(Cl)ccc1Oc1ccc(C(N)=O)cc1N
InChIInChI=1S/C14H13ClN2O2/c1-8-6-10(15)3-5-12(8)19-13-4-2-9(14(17)18)7-11(13)16/h2-7H,16H2,1H3,(H2,17,18)
InChIKeyAQNXQHARVVKRJG-UHFFFAOYSA-N
XLogP3.12
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.12
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-3-(4-chloro-2-methylphenoxy)benzamide
CID 55188748
3-amino-4-(2,4-dichlorophenoxy)benzamide
CID 43448525
3-amino-4-(2-chlorophenoxy)benzamide
CID 43382705
1-[3-amino-4-(2-bromo-4-chlorophenoxy)phenyl]ethanone
CID 170632658
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]ethanone
CID 55222650
3-amino-4-(4-bromo-2-chlorophenoxy)benzamide
CID 43448570
2-(4-chloro-2-methylphenoxy)-5-nitroaniline
CID 62508306
3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide
CID 82990978
5-amino-2-(4-chloro-2-methylphenoxy)pyridine-4-carboxamide
CID 114090632
3-chloro-4-(4-chloro-2-methoxyphenoxy)benzamide
CID 86084993
3-amino-4-(2,4-dibromophenoxy)benzamide
CID 64720185
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-chloro-2-methylphenoxy)benzamide?
The IUPAC name of 3-amino-4-(4-chloro-2-methylphenoxy)benzamide (CID 43448530) is 3-amino-4-(4-chloro-2-methylphenoxy)benzamide.
What is the SMILES notation for 3-amino-4-(4-chloro-2-methylphenoxy)benzamide?
The canonical SMILES for 3-amino-4-(4-chloro-2-methylphenoxy)benzamide is Cc1cc(Cl)ccc1Oc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(4-chloro-2-methylphenoxy)benzamide?
The InChIKey is AQNXQHARVVKRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-6-10(15)3-5-12(8)19-13-4-2-9(14(17)18)7-11(13)16/h2-7H,16H2,1H3,(H2,17,18).
What are the key properties of 3-amino-4-(4-chloro-2-methylphenoxy)benzamide?
3-amino-4-(4-chloro-2-methylphenoxy)benzamide has a molecular weight of 276.72 g/mol, XLogP of 3.12, 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-chloro-2-methylphenoxy)benzamide is sourced from PubChem (CID 43448530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).