N-(2-bromophenyl)-2-ethylnon-7-enamide

C17H24BrNO — CID 140646551

IUPACN-(2-bromophenyl)-2-ethylnon-7-enamide
SMILESCC=CCCCCC(CC)C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H24BrNO/c1-3-5-6-7-8-11-14(4-2)17(20)19-16-13-10-9-12-15(16)18/h3,5,9-10,12-14H,4,6-8,11H2,1-2H3,(H,19,20)
InChIKeyPSIUYGZJURTSIT-UHFFFAOYSA-N
MW338.29 g/mol
LogP5.55
Rot. Bonds8

About N-(2-bromophenyl)-2-ethylnon-7-enamide

N-(2-bromophenyl)-2-ethylnon-7-enamide (PubChem CID 140646551) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-ethylnon-7-enamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-ethylnon-7-enamide
PubChem CID140646551
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-(2-bromophenyl)-2-ethylnon-7-enamide
SMILESCC=CCCCCC(CC)C(=O)Nc1ccccc1Br
InChIInChI=1S/C17H24BrNO/c1-3-5-6-7-8-11-14(4-2)17(20)19-16-13-10-9-12-15(16)18/h3,5,9-10,12-14H,4,6-8,11H2,1-2H3,(H,19,20)
InChIKeyPSIUYGZJURTSIT-UHFFFAOYSA-N
XLogP5.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.29
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(2-propylphenyl)non-7-enamide
CID 140646559
2-ethyl-N-(2-phenoxyphenyl)non-7-enamide
CID 140646561
2-ethyl-N-(4-phenylphenyl)non-7-enamide
CID 150409330
N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide
CID 150634098
(E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide
CID 90266134
2-ethyl-N-naphthalen-1-ylhexanamide
CID 3580350
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
benzyl 2-ethylnon-7-enoate
CID 151050476
4-amino-2-ethyl-N-(2-ethylphenyl)butanamide
CID 112515504
N-(4-amino-2-bromophenyl)-2-ethylhexanamide
CID 43549454
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-ethylnon-7-enamide?
The IUPAC name of N-(2-bromophenyl)-2-ethylnon-7-enamide (CID 140646551) is N-(2-bromophenyl)-2-ethylnon-7-enamide.
What is the SMILES notation for N-(2-bromophenyl)-2-ethylnon-7-enamide?
The canonical SMILES for N-(2-bromophenyl)-2-ethylnon-7-enamide is CC=CCCCCC(CC)C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-ethylnon-7-enamide?
The InChIKey is PSIUYGZJURTSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-3-5-6-7-8-11-14(4-2)17(20)19-16-13-10-9-12-15(16)18/h3,5,9-10,12-14H,4,6-8,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-ethylnon-7-enamide?
N-(2-bromophenyl)-2-ethylnon-7-enamide has a molecular weight of 338.29 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-ethylnon-7-enamide is sourced from PubChem (CID 140646551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).