N-butyl-2-phenylbenzamide

C17H19NO — CID 21064565

IUPACN-butyl-2-phenylbenzamide
SMILESCCCCNC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H19NO/c1-2-3-13-18-17(19)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,18,19)
InChIKeyRRNKASJWLAIBGB-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.88
Rot. Bonds5

About N-butyl-2-phenylbenzamide

N-butyl-2-phenylbenzamide (PubChem CID 21064565) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-butyl-2-phenylbenzamide.

Molecular Properties

Compound NameN-butyl-2-phenylbenzamide
PubChem CID21064565
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-butyl-2-phenylbenzamide
SMILESCCCCNC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C17H19NO/c1-2-3-13-18-17(19)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,18,19)
InChIKeyRRNKASJWLAIBGB-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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

N-butyl-2-hydroxy-3-phenylbenzamide
CID 8579
N-[3-(2-hydroxyethoxy)propyl]-2-phenylbenzamide
CID 110022367
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
N-butyl-4-phenylbenzamide
CID 3637649
2-(benzylamino)-N-butylbenzamide
CID 86102037
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
N-butyl-2-methylsulfanylbenzamide
CID 59510338
N-butyl-2,4-diphenylthiophene-3-carboxamide
CID 102375157
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
N-ethyl-2-fluoro-3-phenylbenzamide
CID 67472653
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-phenylbenzamide?
The IUPAC name of N-butyl-2-phenylbenzamide (CID 21064565) is N-butyl-2-phenylbenzamide.
What is the SMILES notation for N-butyl-2-phenylbenzamide?
The canonical SMILES for N-butyl-2-phenylbenzamide is CCCCNC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-butyl-2-phenylbenzamide?
The InChIKey is RRNKASJWLAIBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-3-13-18-17(19)16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H,18,19).
What are the key properties of N-butyl-2-phenylbenzamide?
N-butyl-2-phenylbenzamide has a molecular weight of 253.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-phenylbenzamide is sourced from PubChem (CID 21064565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).