N-(4-aminobutyl)-4-bromo-3-chlorobenzamide

C11H14BrClN2O — CID 81290247

IUPACN-(4-aminobutyl)-4-bromo-3-chlorobenzamide
SMILESNCCCCNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2O/c12-9-4-3-8(7-10(9)13)11(16)15-6-2-1-5-14/h3-4,7H,1-2,5-6,14H2,(H,15,16)
InChIKeyXMCSIHOPPWANEV-UHFFFAOYSA-N
MW305.60 g/mol
LogP2.57
Rot. Bonds5

About N-(4-aminobutyl)-4-bromo-3-chlorobenzamide

N-(4-aminobutyl)-4-bromo-3-chlorobenzamide (PubChem CID 81290247) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is N-(4-aminobutyl)-4-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-4-bromo-3-chlorobenzamide
PubChem CID81290247
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC NameN-(4-aminobutyl)-4-bromo-3-chlorobenzamide
SMILESNCCCCNC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H14BrClN2O/c12-9-4-3-8(7-10(9)13)11(16)15-6-2-1-5-14/h3-4,7H,1-2,5-6,14H2,(H,15,16)
InChIKeyXMCSIHOPPWANEV-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(4-bromopentyl)-3-chlorobenzamide
CID 106130615
4-bromo-3-chloro-N-(3-methylsulfonylpropyl)benzamide
CID 80972971
N-(3-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81295761
4-bromo-3-chloro-N-[2-(2,4-dichlorophenyl)ethyl]benzamide
CID 81295924
4-bromo-3-chloro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 81306937
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
N-(8-aminooctyl)-3-bromobenzamide
CID 54790956
4-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832355
4-bromo-3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 80974274
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
N-(4-bromobutyl)-3-chloro-4-hydroxybenzamide
CID 106845855
4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
CID 80948919

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-4-bromo-3-chlorobenzamide?
The IUPAC name of N-(4-aminobutyl)-4-bromo-3-chlorobenzamide (CID 81290247) is N-(4-aminobutyl)-4-bromo-3-chlorobenzamide.
What is the SMILES notation for N-(4-aminobutyl)-4-bromo-3-chlorobenzamide?
The canonical SMILES for N-(4-aminobutyl)-4-bromo-3-chlorobenzamide is NCCCCNC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-aminobutyl)-4-bromo-3-chlorobenzamide?
The InChIKey is XMCSIHOPPWANEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c12-9-4-3-8(7-10(9)13)11(16)15-6-2-1-5-14/h3-4,7H,1-2,5-6,14H2,(H,15,16).
What are the key properties of N-(4-aminobutyl)-4-bromo-3-chlorobenzamide?
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide has a molecular weight of 305.60 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-4-bromo-3-chlorobenzamide is sourced from PubChem (CID 81290247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).