3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide

C16H17ClN2O2 — CID 82990978

IUPAC3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Oc2cc(Cl)ccc2C)c(N)c1
InChIInChI=1S/C16H17ClN2O2/c1-3-19-16(20)11-5-7-14(13(18)8-11)21-15-9-12(17)6-4-10(15)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyNLRKHLIPCDWYRW-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.77
Rot. Bonds4

About 3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide

3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide (PubChem CID 82990978) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide
PubChem CID82990978
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Oc2cc(Cl)ccc2C)c(N)c1
InChIInChI=1S/C16H17ClN2O2/c1-3-19-16(20)11-5-7-14(13(18)8-11)21-15-9-12(17)6-4-10(15)2/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyNLRKHLIPCDWYRW-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
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-N-ethyl-4-(4-fluoro-2-methylphenoxy)benzamide
CID 82990983
3-amino-4-(3,5-difluorophenoxy)-N-ethylbenzamide
CID 82990957
3-amino-4-(2,5-dimethylphenoxy)-N-methylbenzamide
CID 83000096
3-amino-4-(4-chloro-2-methylphenoxy)benzamide
CID 43448530
3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide
CID 82990981
3-amino-N-ethyl-4-[(4-methylphenyl)methoxy]benzamide
CID 82070214
3-amino-N-[(4-chlorophenyl)methyl]-4-ethoxybenzamide
CID 61095701
4-amino-N-ethyl-3-(2-fluoro-3-methylphenoxy)benzamide
CID 107655446
3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800376
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
3-amino-4-(2,4-dichlorophenoxy)benzamide
CID 43448525

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide?
The IUPAC name of 3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide (CID 82990978) is 3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide is CCNC(=O)c1ccc(Oc2cc(Cl)ccc2C)c(N)c1.
What is the InChIKey of 3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide?
The InChIKey is NLRKHLIPCDWYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-19-16(20)11-5-7-14(13(18)8-11)21-15-9-12(17)6-4-10(15)2/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide?
3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(5-chloro-2-methylphenoxy)-N-ethylbenzamide is sourced from PubChem (CID 82990978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).