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

C16H16ClNO2 — CID 102670676

IUPAC3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
SMILESCCc1cccc(OCc2ccc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-2-11-4-3-5-14(8-11)20-10-13-7-6-12(16(18)19)9-15(13)17/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyZOLJGEUXDSIXGP-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.58
Rot. Bonds5

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

3-chloro-4-[(3-ethylphenoxy)methyl]benzamide (PubChem CID 102670676) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-chloro-4-[(3-ethylphenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
PubChem CID102670676
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
SMILESCCc1cccc(OCc2ccc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-2-11-4-3-5-14(8-11)20-10-13-7-6-12(16(18)19)9-15(13)17/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyZOLJGEUXDSIXGP-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-ethylphenoxy)methyl]benzamide
CID 102670675
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814
4-[(3-ethylphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482207
3-amino-4-[(4-chloro-3-ethylphenoxy)methyl]benzamide
CID 43376930
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
3-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide
CID 102663198
4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
CID 107396670
3-chloro-4-[(1-propylpyrazol-4-yl)oxymethyl]benzamide
CID 102670696
3-chloro-4-[(3-propan-2-ylphenoxy)methyl]benzoic acid
CID 102670114
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
3-chloro-4-[(3-fluorophenoxy)methyl]benzenecarbothioamide
CID 102666491

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-ethylphenoxy)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(3-ethylphenoxy)methyl]benzamide (CID 102670676) is 3-chloro-4-[(3-ethylphenoxy)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(3-ethylphenoxy)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(3-ethylphenoxy)methyl]benzamide is CCc1cccc(OCc2ccc(C(N)=O)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-[(3-ethylphenoxy)methyl]benzamide?
The InChIKey is ZOLJGEUXDSIXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-11-4-3-5-14(8-11)20-10-13-7-6-12(16(18)19)9-15(13)17/h3-9H,2,10H2,1H3,(H2,18,19).
What are the key properties of 3-chloro-4-[(3-ethylphenoxy)methyl]benzamide?
3-chloro-4-[(3-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-[(3-ethylphenoxy)methyl]benzamide is sourced from PubChem (CID 102670676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).