2-phenyl-6-propoxybenzamide

C16H17NO2 — CID 57275841

IUPAC2-phenyl-6-propoxybenzamide
SMILESCCCOc1cccc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C16H17NO2/c1-2-11-19-14-10-6-9-13(15(14)16(17)18)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,17,18)
InChIKeyOSAUNDOSUOSGPR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.24
Rot. Bonds5

About 2-phenyl-6-propoxybenzamide

2-phenyl-6-propoxybenzamide (PubChem CID 57275841) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-phenyl-6-propoxybenzamide.

Molecular Properties

Compound Name2-phenyl-6-propoxybenzamide
PubChem CID57275841
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-phenyl-6-propoxybenzamide
SMILESCCCOc1cccc(-c2ccccc2)c1C(N)=O
InChIInChI=1S/C16H17NO2/c1-2-11-19-14-10-6-9-13(15(14)16(17)18)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,17,18)
InChIKeyOSAUNDOSUOSGPR-UHFFFAOYSA-N
XLogP3.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-decoxy-6-phenylbenzoyl chloride
CID 54019687
2-carbamoyl-3-phenylbenzoic acid;ethanamine
CID 175433924
2,6-dipropoxybenzoyl iodide
CID 19912030
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
4-(2-nonoxyphenyl)benzamide
CID 67822371
2-(4-propoxyazulen-6-yl)acetic acid
CID 67554086
2-phenyl-3-propoxyphenol
CID 155695054
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
[4-(2-propoxyphenyl)phenyl]methylcarbamic acid
CID 67457846
2-(2-butoxyphenyl)benzamide
CID 174985404
2,6-bis(2-hydroxyethoxy)benzoic acid
CID 54256937
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-propoxybenzamide?
The IUPAC name of 2-phenyl-6-propoxybenzamide (CID 57275841) is 2-phenyl-6-propoxybenzamide.
What is the SMILES notation for 2-phenyl-6-propoxybenzamide?
The canonical SMILES for 2-phenyl-6-propoxybenzamide is CCCOc1cccc(-c2ccccc2)c1C(N)=O.
What is the InChIKey of 2-phenyl-6-propoxybenzamide?
The InChIKey is OSAUNDOSUOSGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-11-19-14-10-6-9-13(15(14)16(17)18)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H2,17,18).
What are the key properties of 2-phenyl-6-propoxybenzamide?
2-phenyl-6-propoxybenzamide has a molecular weight of 255.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-propoxybenzamide is sourced from PubChem (CID 57275841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).