N-[(3-bromophenyl)methyl]-N-methyloctanamide

C16H24BrNO — CID 63531668

IUPACN-[(3-bromophenyl)methyl]-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-3-4-5-6-7-11-16(19)18(2)13-14-9-8-10-15(17)12-14/h8-10,12H,3-7,11,13H2,1-2H3
InChIKeyFKFNNTQGDNNHOR-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.77
Rot. Bonds8

About N-[(3-bromophenyl)methyl]-N-methyloctanamide

N-[(3-bromophenyl)methyl]-N-methyloctanamide (PubChem CID 63531668) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyloctanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyloctanamide
PubChem CID63531668
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C16H24BrNO/c1-3-4-5-6-7-11-16(19)18(2)13-14-9-8-10-15(17)12-14/h8-10,12H,3-7,11,13H2,1-2H3
InChIKeyFKFNNTQGDNNHOR-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3-bromophenyl)methyl]-N-methyloctanamide 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)methyl]-N-methylhept-6-ynamide
CID 103907666
N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
N-[(3-carbamothioylphenyl)methyl]-N-methylheptanamide
CID 114752780
methyl 4-[(3-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 94721985
N-benzyl-N-methylpentanamide
CID 4629611
N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
CID 65426149
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
CID 61416728
N-[(3-bromophenyl)methyl]-N-undecylundecan-1-amine
CID 6426450
3-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 112792574
N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 61041591

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyloctanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyloctanamide (CID 63531668) is N-[(3-bromophenyl)methyl]-N-methyloctanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyloctanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyloctanamide is CCCCCCCC(=O)N(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyloctanamide?
The InChIKey is FKFNNTQGDNNHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-4-5-6-7-11-16(19)18(2)13-14-9-8-10-15(17)12-14/h8-10,12H,3-7,11,13H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyloctanamide?
N-[(3-bromophenyl)methyl]-N-methyloctanamide has a molecular weight of 326.28 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyloctanamide is sourced from PubChem (CID 63531668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).