3-chloro-4-[(4-ethylphenoxy)methyl]benzamide

C16H16ClNO2 — CID 102670675

IUPAC3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
SMILESCCc1ccc(OCc2ccc(C(N)=O)cc2Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-2-11-3-7-14(8-4-11)20-10-13-6-5-12(16(18)19)9-15(13)17/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyARSQKQAFEWAFMK-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.58
Rot. Bonds5

About 3-chloro-4-[(4-ethylphenoxy)methyl]benzamide

3-chloro-4-[(4-ethylphenoxy)methyl]benzamide (PubChem CID 102670675) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-chloro-4-[(4-ethylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
PubChem CID102670675
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
SMILESCCc1ccc(OCc2ccc(C(N)=O)cc2Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-2-11-3-7-14(8-4-11)20-10-13-6-5-12(16(18)19)9-15(13)17/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyARSQKQAFEWAFMK-UHFFFAOYSA-N
XLogP3.58
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814
3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
CID 102670676
4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
CID 107396670
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
CID 102670696
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
4-[(4-ethylphenoxy)methyl]-3-methylbenzoic acid
CID 114485685
(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate
CID 102669562
3-[(4-chlorophenoxy)methyl]-4-fluorobenzamide
CID 64763801
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
CID 102663180

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-ethylphenoxy)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(4-ethylphenoxy)methyl]benzamide (CID 102670675) is 3-chloro-4-[(4-ethylphenoxy)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(4-ethylphenoxy)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(4-ethylphenoxy)methyl]benzamide is CCc1ccc(OCc2ccc(C(N)=O)cc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[(4-ethylphenoxy)methyl]benzamide?
The InChIKey is ARSQKQAFEWAFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-11-3-7-14(8-4-11)20-10-13-6-5-12(16(18)19)9-15(13)17/h3-9H,2,10H2,1H3,(H2,18,19).
What are the key properties of 3-chloro-4-[(4-ethylphenoxy)methyl]benzamide?
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-ethylphenoxy)methyl]benzamide is sourced from PubChem (CID 102670675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).