N-(5-bromo-2-cyanophenyl)-2-propylpentanamide

C15H19BrN2O — CID 107798334

IUPACN-(5-bromo-2-cyanophenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C15H19BrN2O/c1-3-5-11(6-4-2)15(19)18-14-9-13(16)8-7-12(14)10-17/h7-9,11H,3-6H2,1-2H3,(H,18,19)
InChIKeyYRUVSDAEFBCQJI-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.48
Rot. Bonds6

About N-(5-bromo-2-cyanophenyl)-2-propylpentanamide

N-(5-bromo-2-cyanophenyl)-2-propylpentanamide (PubChem CID 107798334) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-propylpentanamide
PubChem CID107798334
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C15H19BrN2O/c1-3-5-11(6-4-2)15(19)18-14-9-13(16)8-7-12(14)10-17/h7-9,11H,3-6H2,1-2H3,(H,18,19)
InChIKeyYRUVSDAEFBCQJI-UHFFFAOYSA-N
XLogP4.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(5-bromo-2-cyanophenyl)carbamoylamino]methyl]pentanoic acid
CID 107799809
(2R)-2-[(5-bromo-2-cyanophenyl)carbamoylamino]pentanoic acid
CID 107799853
3-amino-N-(5-bromo-2-cyanophenyl)-2-methylpropanamide
CID 107798264
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylpropanamide
CID 107798096
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-3-methylbutanamide
CID 114002534
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-4-methylpentanamide
CID 107798203
6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide
CID 107798147
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylacetamide
CID 107797820
N-(5-bromo-2-cyanophenyl)-3-chloro-2,2-dimethylpropanamide
CID 107797781
N-(5-bromo-2-cyanophenyl)-2-ethylbenzamide
CID 104880168
2-(5-bromo-2-cyanoanilino)hexanoic acid
CID 114900891

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-propylpentanamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-propylpentanamide (CID 107798334) is N-(5-bromo-2-cyanophenyl)-2-propylpentanamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-propylpentanamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-propylpentanamide?
The InChIKey is YRUVSDAEFBCQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-3-5-11(6-4-2)15(19)18-14-9-13(16)8-7-12(14)10-17/h7-9,11H,3-6H2,1-2H3,(H,18,19).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-propylpentanamide?
N-(5-bromo-2-cyanophenyl)-2-propylpentanamide has a molecular weight of 323.23 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-propylpentanamide is sourced from PubChem (CID 107798334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).