N-(3-bromophenyl)heptanamide

C13H18BrNO — CID 4596383

IUPACN-(3-bromophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-2-3-4-5-9-13(16)15-12-8-6-7-11(14)10-12/h6-8,10H,2-5,9H2,1H3,(H,15,16)
InChIKeyLFVUQCHWOZWYOC-UHFFFAOYSA-N
MW284.20 g/mol
LogP4.36
Rot. Bonds6

About N-(3-bromophenyl)heptanamide

N-(3-bromophenyl)heptanamide (PubChem CID 4596383) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(3-bromophenyl)heptanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)heptanamide
PubChem CID4596383
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(3-bromophenyl)heptanamide
SMILESCCCCCCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-2-3-4-5-9-13(16)15-12-8-6-7-11(14)10-12/h6-8,10H,2-5,9H2,1H3,(H,15,16)
InChIKeyLFVUQCHWOZWYOC-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3-bromophenyl)heptanamide 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

N-(3-bromophenyl)-3-(butylamino)propanamide
CID 109012514
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
3-(heptanoylamino)benzamide
CID 54789184
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-(3-iodophenyl)octanamide
CID 55026619
N-(3-sulfanylphenyl)heptanamide
CID 173451208
N-(3-ethylphenyl)decanamide
CID 4053743
methyl 3-(decanoylamino)benzoate
CID 142485980
N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
CID 170791141
N-phenylheptatetracontanamide
CID 150503307
N-phenylpentacosanamide
CID 19025260

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)heptanamide?
The IUPAC name of N-(3-bromophenyl)heptanamide (CID 4596383) is N-(3-bromophenyl)heptanamide.
What is the SMILES notation for N-(3-bromophenyl)heptanamide?
The canonical SMILES for N-(3-bromophenyl)heptanamide is CCCCCCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)heptanamide?
The InChIKey is LFVUQCHWOZWYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-2-3-4-5-9-13(16)15-12-8-6-7-11(14)10-12/h6-8,10H,2-5,9H2,1H3,(H,15,16).
What are the key properties of N-(3-bromophenyl)heptanamide?
N-(3-bromophenyl)heptanamide has a molecular weight of 284.20 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)heptanamide is sourced from PubChem (CID 4596383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).