2-(2-pentylphenyl)benzamide

C18H21NO — CID 174986965

IUPAC2-(2-pentylphenyl)benzamide
SMILESCCCCCc1ccccc1-c1ccccc1C(N)=O
InChIInChI=1S/C18H21NO/c1-2-3-4-9-14-10-5-6-11-15(14)16-12-7-8-13-17(16)18(19)20/h5-8,10-13H,2-4,9H2,1H3,(H2,19,20)
InChIKeyMEORXWARCSDEAN-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.19
Rot. Bonds6

About 2-(2-pentylphenyl)benzamide

2-(2-pentylphenyl)benzamide (PubChem CID 174986965) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(2-pentylphenyl)benzamide.

Molecular Properties

Compound Name2-(2-pentylphenyl)benzamide
PubChem CID174986965
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-(2-pentylphenyl)benzamide
SMILESCCCCCc1ccccc1-c1ccccc1C(N)=O
InChIInChI=1S/C18H21NO/c1-2-3-4-9-14-10-5-6-11-15(14)16-12-7-8-13-17(16)18(19)20/h5-8,10-13H,2-4,9H2,1H3,(H2,19,20)
InChIKeyMEORXWARCSDEAN-UHFFFAOYSA-N
XLogP4.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-octylbenzamide
CID 11148995
2-butylbenzamide
CID 15468173
4,6-dihexylbenzene-1,3-dicarboxamide
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2-(2-pentylphenyl)phenol
CID 66866892
2-carbamoyl-6-octadecylbenzoic acid
CID 69046892
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
2-(2-butoxyphenyl)benzamide
CID 174985404
zinc;1,2-di(tetradecyl)benzene;dicarbamothioate
CID 173210001
2-docosylbenzenecarboperoxoic acid
CID 90868590
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
ethane;hexane;2-hydroxybenzamide
CID 143703157
2-(4-aminooctyl)benzamide
CID 57359484

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentylphenyl)benzamide?
The IUPAC name of 2-(2-pentylphenyl)benzamide (CID 174986965) is 2-(2-pentylphenyl)benzamide.
What is the SMILES notation for 2-(2-pentylphenyl)benzamide?
The canonical SMILES for 2-(2-pentylphenyl)benzamide is CCCCCc1ccccc1-c1ccccc1C(N)=O.
What is the InChIKey of 2-(2-pentylphenyl)benzamide?
The InChIKey is MEORXWARCSDEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-3-4-9-14-10-5-6-11-15(14)16-12-7-8-13-17(16)18(19)20/h5-8,10-13H,2-4,9H2,1H3,(H2,19,20).
What are the key properties of 2-(2-pentylphenyl)benzamide?
2-(2-pentylphenyl)benzamide has a molecular weight of 267.37 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentylphenyl)benzamide is sourced from PubChem (CID 174986965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).