3-bromo-N-dodecylbenzamide

C19H30BrNO — CID 603918

IUPAC3-bromo-N-dodecylbenzamide
SMILESCCCCCCCCCCCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H30BrNO/c1-2-3-4-5-6-7-8-9-10-11-15-21-19(22)17-13-12-14-18(20)16-17/h12-14,16H,2-11,15H2,1H3,(H,21,22)
InChIKeyWLODYISPCWMIII-UHFFFAOYSA-N
MW368.36 g/mol
LogP6.10
Rot. Bonds12

About 3-bromo-N-dodecylbenzamide

3-bromo-N-dodecylbenzamide (PubChem CID 603918) has the molecular formula C19H30BrNO and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-bromo-N-dodecylbenzamide.

Molecular Properties

Compound Name3-bromo-N-dodecylbenzamide
PubChem CID603918
Molecular FormulaC19H30BrNO
Molecular Weight368.36 g/mol
Exact Mass367.15
IUPAC Name3-bromo-N-dodecylbenzamide
SMILESCCCCCCCCCCCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C19H30BrNO/c1-2-3-4-5-6-7-8-9-10-11-15-21-19(22)17-13-12-14-18(20)16-17/h12-14,16H,2-11,15H2,1H3,(H,21,22)
InChIKeyWLODYISPCWMIII-UHFFFAOYSA-N
XLogP6.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[3-[(N'-methyl-N-pentylcarbamimidoyl)amino]propyl]benzamide
CID 111128775
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
N-(8-aminooctyl)-3-bromobenzamide
CID 54790956
3-hydroxy-N-octylbenzamide
CID 115568584
3-fluoro-N-octadecylbenzamide
CID 91711883
N-decyl-3-sulfanylbenzamide
CID 107032454
4-bromo-N-hexadecylbenzamide
CID 54791037
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404
3-carbamothioyl-N-octylbenzamide
CID 115568179
3-methoxy-N-tridecylbenzamide
CID 139819898
4-bromo-N-pentylbenzamide
CID 4167913
ethyl 3-(tetradecylcarbamoyl)benzoate
CID 163748479

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-dodecylbenzamide?
The IUPAC name of 3-bromo-N-dodecylbenzamide (CID 603918) is 3-bromo-N-dodecylbenzamide.
What is the SMILES notation for 3-bromo-N-dodecylbenzamide?
The canonical SMILES for 3-bromo-N-dodecylbenzamide is CCCCCCCCCCCCNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-dodecylbenzamide?
The InChIKey is WLODYISPCWMIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30BrNO/c1-2-3-4-5-6-7-8-9-10-11-15-21-19(22)17-13-12-14-18(20)16-17/h12-14,16H,2-11,15H2,1H3,(H,21,22).
What are the key properties of 3-bromo-N-dodecylbenzamide?
3-bromo-N-dodecylbenzamide has a molecular weight of 368.36 g/mol, XLogP of 6.10, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-dodecylbenzamide is sourced from PubChem (CID 603918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).