2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide

C16H17ClN2O2 — CID 107624071

IUPAC2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1cc(C)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-3-21-14-6-4-5-12(18)15(14)16(20)19-13-9-10(2)7-8-11(13)17/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyQFWLIHNFMZPTTG-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.88
Rot. Bonds4

About 2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide

2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide (PubChem CID 107624071) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
PubChem CID107624071
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)Nc1cc(C)ccc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-3-21-14-6-4-5-12(18)15(14)16(20)19-13-9-10(2)7-8-11(13)17/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyQFWLIHNFMZPTTG-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-bromo-5-chlorophenyl)-6-ethoxybenzamide
CID 81394707
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
2-amino-N-(2-bromophenyl)-6-ethoxybenzamide
CID 81410099
2-amino-N-(3-chloro-2-pyridinyl)-6-ethoxybenzamide
CID 103093864
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
N-(2-chloro-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107689718
3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide
CID 91684333
2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide
CID 81395946
2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860
2-amino-N-(2-chloro-5-fluorophenyl)-6-methylbenzamide
CID 107526569
2-amino-6-ethoxy-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594556

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide (CID 107624071) is 2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)Nc1cc(C)ccc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide?
The InChIKey is QFWLIHNFMZPTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-21-14-6-4-5-12(18)15(14)16(20)19-13-9-10(2)7-8-11(13)17/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide?
2-amino-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide 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-N-(2-chloro-5-methylphenyl)-6-ethoxybenzamide is sourced from PubChem (CID 107624071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).