2-butyl-N-phenylbenzamide

C17H19NO — CID 3695058

IUPAC2-butyl-N-phenylbenzamide
SMILESCCCCc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19NO/c1-2-3-9-14-10-7-8-13-16(14)17(19)18-15-11-5-4-6-12-15/h4-8,10-13H,2-3,9H2,1H3,(H,18,19)
InChIKeyCKZOICVHFAAWSF-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.28
Rot. Bonds5

About 2-butyl-N-phenylbenzamide

2-butyl-N-phenylbenzamide (PubChem CID 3695058) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-butyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-butyl-N-phenylbenzamide
PubChem CID3695058
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-butyl-N-phenylbenzamide
SMILESCCCCc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19NO/c1-2-3-9-14-10-7-8-13-16(14)17(19)18-15-11-5-4-6-12-15/h4-8,10-13H,2-3,9H2,1H3,(H,18,19)
InChIKeyCKZOICVHFAAWSF-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(hydroxymethyl)-N-phenylbenzamide
CID 14198283
azane;2-butylbenzoic acid
CID 174819524
2-(fluoromethyl)-N-phenylbenzamide
CID 141101349
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
2-[(4-butyl-3-carbamoylphenyl)carbamoyl]benzoic acid
CID 118894327
2-butylbenzamide
CID 15468173
2-ethyl-N-(4-methylphenyl)benzamide
CID 20613365
N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
bis(2-butylbenzoate);cadmium(2+)
CID 101299924
N-[4-(ethylsulfonylamino)phenyl]-2-(2-phenylethyl)benzamide
CID 60556640
2-hex-1-ynyl-N-phenylbenzamide
CID 102337761
dodecanamide;2-hydroxy-N-phenylbenzamide
CID 174887161

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-phenylbenzamide?
The IUPAC name of 2-butyl-N-phenylbenzamide (CID 3695058) is 2-butyl-N-phenylbenzamide.
What is the SMILES notation for 2-butyl-N-phenylbenzamide?
The canonical SMILES for 2-butyl-N-phenylbenzamide is CCCCc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-butyl-N-phenylbenzamide?
The InChIKey is CKZOICVHFAAWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-3-9-14-10-7-8-13-16(14)17(19)18-15-11-5-4-6-12-15/h4-8,10-13H,2-3,9H2,1H3,(H,18,19).
What are the key properties of 2-butyl-N-phenylbenzamide?
2-butyl-N-phenylbenzamide has a molecular weight of 253.35 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-phenylbenzamide is sourced from PubChem (CID 3695058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).