2,2-dibromo-N-phenylnonanamide

C15H21Br2NO — CID 59766487

IUPAC2,2-dibromo-N-phenylnonanamide
SMILESCCCCCCCC(Br)(Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H21Br2NO/c1-2-3-4-5-9-12-15(16,17)14(19)18-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,18,19)
InChIKeyNSIJZSOMCQYYAG-UHFFFAOYSA-N
MW391.15 g/mol
LogP5.47
Rot. Bonds8

About 2,2-dibromo-N-phenylnonanamide

2,2-dibromo-N-phenylnonanamide (PubChem CID 59766487) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is 2,2-dibromo-N-phenylnonanamide.

Molecular Properties

Compound Name2,2-dibromo-N-phenylnonanamide
PubChem CID59766487
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name2,2-dibromo-N-phenylnonanamide
SMILESCCCCCCCC(Br)(Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H21Br2NO/c1-2-3-4-5-9-12-15(16,17)14(19)18-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,18,19)
InChIKeyNSIJZSOMCQYYAG-UHFFFAOYSA-N
XLogP5.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.15
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-phenyl-2-trimethylsilylheptanamide
CID 10334484
2-butyl-2-ethyl-N,N'-diphenylpropanediamide
CID 170847638
2-acetyl-N-phenyl-2-propan-2-ylheptanamide
CID 24972977
2-amino-2-methyl-N-phenylhexanamide
CID 170712188
2,2-dibromooctadecanoyl chloride
CID 18469463
potassium 2-ethyl-2-(phenylcarbamoyl)hexanoate
CID 23672129
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
2-anilino-2-decyltridecanoic acid
CID 139977207
5-oxo-N-phenylheptadecanamide
CID 3308902
1-(octanoylamino)-3-phenylurea
CID 5130887
1-dodecyl-3-phenylurea
CID 3697946

Frequently Asked Questions

What is the IUPAC name of 2,2-dibromo-N-phenylnonanamide?
The IUPAC name of 2,2-dibromo-N-phenylnonanamide (CID 59766487) is 2,2-dibromo-N-phenylnonanamide.
What is the SMILES notation for 2,2-dibromo-N-phenylnonanamide?
The canonical SMILES for 2,2-dibromo-N-phenylnonanamide is CCCCCCCC(Br)(Br)C(=O)Nc1ccccc1.
What is the InChIKey of 2,2-dibromo-N-phenylnonanamide?
The InChIKey is NSIJZSOMCQYYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-2-3-4-5-9-12-15(16,17)14(19)18-13-10-7-6-8-11-13/h6-8,10-11H,2-5,9,12H2,1H3,(H,18,19).
What are the key properties of 2,2-dibromo-N-phenylnonanamide?
2,2-dibromo-N-phenylnonanamide has a molecular weight of 391.15 g/mol, XLogP of 5.47, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-N-phenylnonanamide is sourced from PubChem (CID 59766487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).