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

C14H13ClN2O2 — CID 62671488

IUPAC5-amino-2-(2-chloro-4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccc(N)cc2C(N)=O)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-8-2-4-13(11(15)6-8)19-12-5-3-9(16)7-10(12)14(17)18/h2-7H,16H2,1H3,(H2,17,18)
InChIKeyTXWGPUBHGLDTLB-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.12
Rot. Bonds3

About 5-amino-2-(2-chloro-4-methylphenoxy)benzamide

5-amino-2-(2-chloro-4-methylphenoxy)benzamide (PubChem CID 62671488) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-amino-2-(2-chloro-4-methylphenoxy)benzamide.

Molecular Properties

Compound Name5-amino-2-(2-chloro-4-methylphenoxy)benzamide
PubChem CID62671488
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-amino-2-(2-chloro-4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2ccc(N)cc2C(N)=O)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2/c1-8-2-4-13(11(15)6-8)19-12-5-3-9(16)7-10(12)14(17)18/h2-7H,16H2,1H3,(H2,17,18)
InChIKeyTXWGPUBHGLDTLB-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

5-amino-2-(2,5-dimethylphenoxy)benzamide
CID 61306658
4-(2-chloro-4-methylphenoxy)-3-iodoaniline
CID 66094007
5-amino-3-chloro-2-(2-chloro-4-methylphenoxy)benzoic acid
CID 107197838
5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
5-amino-2-(2-bromo-4-methylphenoxy)benzoic acid
CID 54888290
5-amino-2-(2-chloro-4-methylphenoxy)benzonitrile
CID 62670401
4-amino-2-[(2-chloro-4-methylphenyl)methoxy]benzamide
CID 106955508
2-(4-aminophenoxy)-4-methylbenzamide
CID 62308033
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
5-amino-2-[(2,5-dimethylphenyl)methoxy]benzamide
CID 106956236
4-(2-tert-butyl-5-methylphenoxy)-3-chloroaniline
CID 29012989
4-amino-3-(2-chloro-4-methylphenoxy)benzoic acid
CID 82795757

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-chloro-4-methylphenoxy)benzamide?
The IUPAC name of 5-amino-2-(2-chloro-4-methylphenoxy)benzamide (CID 62671488) is 5-amino-2-(2-chloro-4-methylphenoxy)benzamide.
What is the SMILES notation for 5-amino-2-(2-chloro-4-methylphenoxy)benzamide?
The canonical SMILES for 5-amino-2-(2-chloro-4-methylphenoxy)benzamide is Cc1ccc(Oc2ccc(N)cc2C(N)=O)c(Cl)c1.
What is the InChIKey of 5-amino-2-(2-chloro-4-methylphenoxy)benzamide?
The InChIKey is TXWGPUBHGLDTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-8-2-4-13(11(15)6-8)19-12-5-3-9(16)7-10(12)14(17)18/h2-7H,16H2,1H3,(H2,17,18).
What are the key properties of 5-amino-2-(2-chloro-4-methylphenoxy)benzamide?
5-amino-2-(2-chloro-4-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 5-amino-2-(2-chloro-4-methylphenoxy)benzamide is sourced from PubChem (CID 62671488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).