3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide

C21H18ClNO2 — CID 1297226

IUPAC3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1Cl
InChIInChI=1S/C21H18ClNO2/c1-2-25-20-13-12-16(14-18(20)22)21(24)23-19-11-7-6-10-17(19)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,23,24)
InChIKeyROFBEVYETQDKCL-UHFFFAOYSA-N
MW351.83 g/mol
LogP5.66
Rot. Bonds5

About 3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide

3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide (PubChem CID 1297226) has the molecular formula C21H18ClNO2 and a molecular weight of 351.83 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide
PubChem CID1297226
Molecular FormulaC21H18ClNO2
Molecular Weight351.83 g/mol
Exact Mass351.10
IUPAC Name3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1Cl
InChIInChI=1S/C21H18ClNO2/c1-2-25-20-13-12-16(14-18(20)22)21(24)23-19-11-7-6-10-17(19)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,23,24)
InChIKeyROFBEVYETQDKCL-UHFFFAOYSA-N
XLogP5.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.83
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide (CID 1297226) is 3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide is CCOc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide?
The InChIKey is ROFBEVYETQDKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO2/c1-2-25-20-13-12-16(14-18(20)22)21(24)23-19-11-7-6-10-17(19)15-8-4-3-5-9-15/h3-14H,2H2,1H3,(H,23,24).
What are the key properties of 3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide?
3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide has a molecular weight of 351.83 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 1297226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).