2-(3-bromoanilino)nonanamide

C15H23BrN2O — CID 54892272

IUPAC2-(3-bromoanilino)nonanamide
SMILESCCCCCCCC(Nc1cccc(Br)c1)C(N)=O
InChIInChI=1S/C15H23BrN2O/c1-2-3-4-5-6-10-14(15(17)19)18-13-9-7-8-12(16)11-13/h7-9,11,14,18H,2-6,10H2,1H3,(H2,17,19)
InChIKeySTAQROCHNGYDHL-UHFFFAOYSA-N
MW327.27 g/mol
LogP4.08
Rot. Bonds9

About 2-(3-bromoanilino)nonanamide

2-(3-bromoanilino)nonanamide (PubChem CID 54892272) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(3-bromoanilino)nonanamide.

Molecular Properties

Compound Name2-(3-bromoanilino)nonanamide
PubChem CID54892272
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(3-bromoanilino)nonanamide
SMILESCCCCCCCC(Nc1cccc(Br)c1)C(N)=O
InChIInChI=1S/C15H23BrN2O/c1-2-3-4-5-6-10-14(15(17)19)18-13-9-7-8-12(16)11-13/h7-9,11,14,18H,2-6,10H2,1H3,(H2,17,19)
InChIKeySTAQROCHNGYDHL-UHFFFAOYSA-N
XLogP4.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-bromoanilino)nonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromoanilino)pentanamide
CID 61005208
methyl 2-(3-bromoanilino)hexanoate
CID 61351760
2-anilinoheptanamide
CID 61005049
2-(3-bromoanilino)-3-hydroxypropanamide
CID 104711177
2-(3-methylanilino)heptanoic acid
CID 54890661
2-N-(3-bromophenyl)hexane-1,2-diamine
CID 65377694
2-(4-bromoanilino)octanoic acid
CID 55223557
methyl 2-anilinooctanoate
CID 54889679
ethyl (2R)-2-anilinotridecanoate
CID 155931058
N-(3-bromophenyl)heptanamide
CID 4596383
(2S)-2-[3-(trifluoromethyl)anilino]pentanamide
CID 91617003
3-amino-2-(3-bromoanilino)-3-oxopropanoic acid
CID 67723108

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)nonanamide?
The IUPAC name of 2-(3-bromoanilino)nonanamide (CID 54892272) is 2-(3-bromoanilino)nonanamide.
What is the SMILES notation for 2-(3-bromoanilino)nonanamide?
The canonical SMILES for 2-(3-bromoanilino)nonanamide is CCCCCCCC(Nc1cccc(Br)c1)C(N)=O.
What is the InChIKey of 2-(3-bromoanilino)nonanamide?
The InChIKey is STAQROCHNGYDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-2-3-4-5-6-10-14(15(17)19)18-13-9-7-8-12(16)11-13/h7-9,11,14,18H,2-6,10H2,1H3,(H2,17,19).
What are the key properties of 2-(3-bromoanilino)nonanamide?
2-(3-bromoanilino)nonanamide has a molecular weight of 327.27 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)nonanamide is sourced from PubChem (CID 54892272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).