5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide

C13H18BrClN2O — CID 107909156

IUPAC5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
SMILESCN(C)c1ccc(NC(=O)CCCCBr)cc1Cl
InChIInChI=1S/C13H18BrClN2O/c1-17(2)12-7-6-10(9-11(12)15)16-13(18)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyDEXQSEPTIQJICQ-UHFFFAOYSA-N
MW333.66 g/mol
LogP3.91
Rot. Bonds6

About 5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide

5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide (PubChem CID 107909156) has the molecular formula C13H18BrClN2O and a molecular weight of 333.66 g/mol. Its IUPAC name is 5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
PubChem CID107909156
Molecular FormulaC13H18BrClN2O
Molecular Weight333.66 g/mol
Exact Mass332.03
IUPAC Name5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide
SMILESCN(C)c1ccc(NC(=O)CCCCBr)cc1Cl
InChIInChI=1S/C13H18BrClN2O/c1-17(2)12-7-6-10(9-11(12)15)16-13(18)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3,(H,16,18)
InChIKeyDEXQSEPTIQJICQ-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.66
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[3-chloro-4-(dimethylamino)phenyl]hexanamide
CID 82852474
N-[3-chloro-4-(dimethylamino)phenyl]-N',N'-dipropylpentanediamide
CID 56540193
5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide
CID 107908992
2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
CID 79473066
N-[3-chloro-4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)propanamide;formic acid
CID 154913108
2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
CID 54862720
N-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopentylsulfonylpropanamide
CID 51124450
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide
CID 81076197
5-bromo-N-[2-(dimethylamino)phenyl]pentanamide
CID 107908909
4-bromo-N-(3,4,5-trichlorophenyl)butanamide
CID 71446010
N-[3-chloro-4-(dimethylamino)phenyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanamide
CID 55821292

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide (CID 107909156) is 5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide is CN(C)c1ccc(NC(=O)CCCCBr)cc1Cl.
What is the InChIKey of 5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide?
The InChIKey is DEXQSEPTIQJICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2O/c1-17(2)12-7-6-10(9-11(12)15)16-13(18)5-3-4-8-14/h6-7,9H,3-5,8H2,1-2H3,(H,16,18).
What are the key properties of 5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide?
5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide has a molecular weight of 333.66 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-chloro-4-(dimethylamino)phenyl]pentanamide is sourced from PubChem (CID 107909156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).