N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride

C15H23BrClN3O2 — CID 119312108

IUPACN-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride
SMILESCCCC(N)C(=O)NCCCNC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C15H22BrN3O2.ClH/c1-2-5-13(17)15(21)19-9-4-8-18-14(20)11-6-3-7-12(16)10-11;/h3,6-7,10,13H,2,4-5,8-9,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyOYGQFMXCIBQGJA-UHFFFAOYSA-N
MW392.73 g/mol
LogP2.23
Rot. Bonds8

About N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride

N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride (PubChem CID 119312108) has the molecular formula C15H23BrClN3O2 and a molecular weight of 392.73 g/mol. Its IUPAC name is N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride
PubChem CID119312108
Molecular FormulaC15H23BrClN3O2
Molecular Weight392.73 g/mol
Exact Mass391.07
IUPAC NameN-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride
SMILESCCCC(N)C(=O)NCCCNC(=O)c1cccc(Br)c1.Cl
InChIInChI=1S/C15H22BrN3O2.ClH/c1-2-5-13(17)15(21)19-9-4-8-18-14(20)11-6-3-7-12(16)10-11;/h3,6-7,10,13H,2,4-5,8-9,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyOYGQFMXCIBQGJA-UHFFFAOYSA-N
XLogP2.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.73
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-3-bromobenzamide
CID 119763919
N-[2-(2-aminopentanoylamino)ethyl]-4-bromobenzamide
CID 119299531
3-bromo-N-dodecylbenzamide
CID 603918
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
CID 103794052
3-bromo-N-(5-chloro-4-methylpentyl)benzamide
CID 106157091
N-(8-aminooctyl)-3-bromobenzamide
CID 54790956
3-bromo-N-[3-[(N'-methyl-N-pentylcarbamimidoyl)amino]propyl]benzamide
CID 111128775
2-amino-N-[2-(3-bromophenoxy)propyl]pentanamide;hydrochloride
CID 119335567
N-(3-amino-3-phenylpropyl)-3-bromobenzamide
CID 80506719
N-[3-(4-aminobutanoylamino)propyl]-3-bromobenzamide
CID 119312115
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride?
The IUPAC name of N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride (CID 119312108) is N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride is CCCC(N)C(=O)NCCCNC(=O)c1cccc(Br)c1.Cl.
What is the InChIKey of N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride?
The InChIKey is OYGQFMXCIBQGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2.ClH/c1-2-5-13(17)15(21)19-9-4-8-18-14(20)11-6-3-7-12(16)10-11;/h3,6-7,10,13H,2,4-5,8-9,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride?
N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride has a molecular weight of 392.73 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminopentanoylamino)propyl]-3-bromobenzamide;hydrochloride is sourced from PubChem (CID 119312108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).