3-pentan-2-yl-2-phenylbenzamide

C18H21NO — CID 68993788

IUPAC3-pentan-2-yl-2-phenylbenzamide
SMILESCCCC(C)c1cccc(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-8-13(2)15-11-7-12-16(18(19)20)17(15)14-9-5-4-6-10-14/h4-7,9-13H,3,8H2,1-2H3,(H2,19,20)
InChIKeyAJBKZNVUWSEGEI-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.36
Rot. Bonds5

About 3-pentan-2-yl-2-phenylbenzamide

3-pentan-2-yl-2-phenylbenzamide (PubChem CID 68993788) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-pentan-2-yl-2-phenylbenzamide.

Molecular Properties

Compound Name3-pentan-2-yl-2-phenylbenzamide
PubChem CID68993788
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-pentan-2-yl-2-phenylbenzamide
SMILESCCCC(C)c1cccc(C(N)=O)c1-c1ccccc1
InChIInChI=1S/C18H21NO/c1-3-8-13(2)15-11-7-12-16(18(19)20)17(15)14-9-5-4-6-10-14/h4-7,9-13H,3,8H2,1-2H3,(H2,19,20)
InChIKeyAJBKZNVUWSEGEI-UHFFFAOYSA-N
XLogP4.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-hydroxybenzamide;2-propylpentanoic acid
CID 21127409
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-ethyl-2-[(2S)-pentan-2-yl]benzene
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CID 174078311
CID 174078311
2,3-diphenylbenzamide;phosphoric acid
CID 68745056
2-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 140800245
3-(benzylamino)-2-phenylbenzamide;dihydrochloride
CID 174723239
2-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 140522394
3-amino-2-(pentan-2-ylamino)benzamide
CID 112577695
2-amino-3-(pentan-2-ylamino)benzamide
CID 115544249
2-(1-carboxybutyl)benzoic acid
CID 51041232

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-2-phenylbenzamide?
The IUPAC name of 3-pentan-2-yl-2-phenylbenzamide (CID 68993788) is 3-pentan-2-yl-2-phenylbenzamide.
What is the SMILES notation for 3-pentan-2-yl-2-phenylbenzamide?
The canonical SMILES for 3-pentan-2-yl-2-phenylbenzamide is CCCC(C)c1cccc(C(N)=O)c1-c1ccccc1.
What is the InChIKey of 3-pentan-2-yl-2-phenylbenzamide?
The InChIKey is AJBKZNVUWSEGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-8-13(2)15-11-7-12-16(18(19)20)17(15)14-9-5-4-6-10-14/h4-7,9-13H,3,8H2,1-2H3,(H2,19,20).
What are the key properties of 3-pentan-2-yl-2-phenylbenzamide?
3-pentan-2-yl-2-phenylbenzamide has a molecular weight of 267.37 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-2-phenylbenzamide is sourced from PubChem (CID 68993788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).