3-chloro-5-ethoxy-4-phenylmethoxybenzamide

C16H16ClNO3 — CID 847700

IUPAC3-chloro-5-ethoxy-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(N)=O)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-2-20-14-9-12(16(18)19)8-13(17)15(14)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyBAQXGADCDRNPHC-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.42
Rot. Bonds6

About 3-chloro-5-ethoxy-4-phenylmethoxybenzamide

3-chloro-5-ethoxy-4-phenylmethoxybenzamide (PubChem CID 847700) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-phenylmethoxybenzamide
PubChem CID847700
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-chloro-5-ethoxy-4-phenylmethoxybenzamide
SMILESCCOc1cc(C(N)=O)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H16ClNO3/c1-2-20-14-9-12(16(18)19)8-13(17)15(14)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,18,19)
InChIKeyBAQXGADCDRNPHC-UHFFFAOYSA-N
XLogP3.42
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-phenylmethoxybenzamide?
The IUPAC name of 3-chloro-5-ethoxy-4-phenylmethoxybenzamide (CID 847700) is 3-chloro-5-ethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for 3-chloro-5-ethoxy-4-phenylmethoxybenzamide is CCOc1cc(C(N)=O)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 3-chloro-5-ethoxy-4-phenylmethoxybenzamide?
The InChIKey is BAQXGADCDRNPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-2-20-14-9-12(16(18)19)8-13(17)15(14)21-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H2,18,19).
What are the key properties of 3-chloro-5-ethoxy-4-phenylmethoxybenzamide?
3-chloro-5-ethoxy-4-phenylmethoxybenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 847700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).