2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide

C16H17ClN2O2 — CID 61104309

IUPAC2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide
SMILESCCOc1cc(C)ccc1NC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C16H17ClN2O2/c1-3-21-15-8-10(2)4-7-14(15)19-16(20)12-9-11(17)5-6-13(12)18/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyXKZNLBAOSBLLMS-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.88
Rot. Bonds4

About 2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide

2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide (PubChem CID 61104309) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide
PubChem CID61104309
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide
SMILESCCOc1cc(C)ccc1NC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C16H17ClN2O2/c1-3-21-15-8-10(2)4-7-14(15)19-16(20)12-9-11(17)5-6-13(12)18/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyXKZNLBAOSBLLMS-UHFFFAOYSA-N
XLogP3.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.88
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

2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
2,4-dibromo-N-(2-ethoxy-4-methylphenyl)benzamide
CID 103885271
N-(2-ethoxy-4-methylphenyl)-2-hydroxy-3-methylbenzamide
CID 112846294
2-bromo-N-(2-ethoxy-4-methylphenyl)pyridine-3-carboxamide
CID 103754685
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
2-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 79703321
3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide
CID 103221306
5-amino-N-(5-chloro-2-ethoxyphenyl)-2-methylbenzamide
CID 61290409
2-amino-N-(2-carbamoyl-4-chlorophenyl)-5-chlorobenzamide
CID 172722121
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide (CID 61104309) is 2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide is CCOc1cc(C)ccc1NC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide?
The InChIKey is XKZNLBAOSBLLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-21-15-8-10(2)4-7-14(15)19-16(20)12-9-11(17)5-6-13(12)18/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide?
2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2-ethoxy-4-methylphenyl)benzamide is sourced from PubChem (CID 61104309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).