5-bromo-N-[2-(dimethylamino)phenyl]pentanamide

C13H19BrN2O — CID 107908909

IUPAC5-bromo-N-[2-(dimethylamino)phenyl]pentanamide
SMILESCN(C)c1ccccc1NC(=O)CCCCBr
InChIInChI=1S/C13H19BrN2O/c1-16(2)12-8-4-3-7-11(12)15-13(17)9-5-6-10-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyZZRCIXJNKOQDNW-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.26
Rot. Bonds6

About 5-bromo-N-[2-(dimethylamino)phenyl]pentanamide

5-bromo-N-[2-(dimethylamino)phenyl]pentanamide (PubChem CID 107908909) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)phenyl]pentanamide
PubChem CID107908909
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name5-bromo-N-[2-(dimethylamino)phenyl]pentanamide
SMILESCN(C)c1ccccc1NC(=O)CCCCBr
InChIInChI=1S/C13H19BrN2O/c1-16(2)12-8-4-3-7-11(12)15-13(17)9-5-6-10-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyZZRCIXJNKOQDNW-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-amino-N-[2-(dimethylamino)phenyl]hexanamide
CID 82847991
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
[2-(5-bromopentanoylamino)phenyl]carbamic acid
CID 175518912
5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
CID 114014721
ethyl 2-(5-bromopentanoylamino)benzoate
CID 103601672
5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
CID 107909156
5-bromo-N-(2,3-dichlorophenyl)pentanamide
CID 103601714
7-bromo-N-phenylheptanamide
CID 11266084
2-[2-[2-(dimethylamino)anilino]-2-oxoethoxy]acetic acid
CID 61326887
4-bromo-N-[2-(dimethylamino)phenyl]benzamide
CID 30875552
6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
CID 44614049
(E)-4-[2-(dimethylamino)anilino]-4-oxobut-2-enoic acid
CID 60940677

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)phenyl]pentanamide (CID 107908909) is 5-bromo-N-[2-(dimethylamino)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)phenyl]pentanamide is CN(C)c1ccccc1NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)phenyl]pentanamide?
The InChIKey is ZZRCIXJNKOQDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(2)12-8-4-3-7-11(12)15-13(17)9-5-6-10-14/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,15,17).
What are the key properties of 5-bromo-N-[2-(dimethylamino)phenyl]pentanamide?
5-bromo-N-[2-(dimethylamino)phenyl]pentanamide has a molecular weight of 299.21 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)phenyl]pentanamide is sourced from PubChem (CID 107908909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).