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

C16H16ClNO2 — CID 12941937

IUPAC3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(Oc2ccc(C)cc2Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-3-18-16(19)12-5-4-6-13(10-12)20-15-8-7-11(2)9-14(15)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyNAQCESKSPYCAAN-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.19
Rot. Bonds4

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

3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide (PubChem CID 12941937) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide
PubChem CID12941937
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(Oc2ccc(C)cc2Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-3-18-16(19)12-5-4-6-13(10-12)20-15-8-7-11(2)9-14(15)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyNAQCESKSPYCAAN-UHFFFAOYSA-N
XLogP4.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenoxy)-N-ethylbenzamide
CID 12941864
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
3-(4-bromophenoxy)-N-ethylbenzamide
CID 12941905
3-[(3,4-dichlorophenyl)methoxy]-N-ethylbenzamide
CID 8814822
3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide
CID 166050629
3-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230671
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide
CID 12941943
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387117
1-chloro-4-methyl-2-(3-methylphenoxy)benzene
CID 54166558
N-ethyl-3-hydroxybenzamide
CID 13175248

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide?
The IUPAC name of 3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide (CID 12941937) is 3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide.
What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide?
The canonical SMILES for 3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide is CCNC(=O)c1cccc(Oc2ccc(C)cc2Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide?
The InChIKey is NAQCESKSPYCAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-3-18-16(19)12-5-4-6-13(10-12)20-15-8-7-11(2)9-14(15)17/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide?
3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide has a molecular weight of 289.76 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide is sourced from PubChem (CID 12941937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).