2-(4-aminopentanoylamino)benzamide;hydrochloride

C12H18ClN3O2 — CID 120558709

IUPAC2-(4-aminopentanoylamino)benzamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1ccccc1C(N)=O.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-8(13)6-7-11(16)15-10-5-3-2-4-9(10)12(14)17;/h2-5,8H,6-7,13H2,1H3,(H2,14,17)(H,15,16);1H
InChIKeyBHQNAVOXHXIUFE-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.27
Rot. Bonds5

About 2-(4-aminopentanoylamino)benzamide;hydrochloride

2-(4-aminopentanoylamino)benzamide;hydrochloride (PubChem CID 120558709) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(4-aminopentanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopentanoylamino)benzamide;hydrochloride
PubChem CID120558709
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-(4-aminopentanoylamino)benzamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1ccccc1C(N)=O.Cl
InChIInChI=1S/C12H17N3O2.ClH/c1-8(13)6-7-11(16)15-10-5-3-2-4-9(10)12(14)17;/h2-5,8H,6-7,13H2,1H3,(H2,14,17)(H,15,16);1H
InChIKeyBHQNAVOXHXIUFE-UHFFFAOYSA-N
XLogP1.27
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-propan-2-ylphenyl)pentanamide;hydrochloride
CID 120558713
2-(3-aminopropanoylamino)benzamide
CID 22692052
4-amino-N-(2-propylphenyl)pentanamide;hydrochloride
CID 120559764
2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119673012
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
2-(2-bromopropanoylamino)benzamide
CID 14588064
4-amino-N-(2-pyrazol-1-ylphenyl)pentanamide;hydrochloride
CID 120558593
4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
CID 120563816
2-(4-aminopentanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 120565146
5-amino-N-(2-bromophenyl)hexanamide
CID 82848124
4-amino-N-(3-bromo-2-hydroxyphenyl)pentanamide
CID 81496462
5-amino-N-(2-iodophenyl)hexanamide
CID 82848467

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopentanoylamino)benzamide;hydrochloride?
The IUPAC name of 2-(4-aminopentanoylamino)benzamide;hydrochloride (CID 120558709) is 2-(4-aminopentanoylamino)benzamide;hydrochloride.
What is the SMILES notation for 2-(4-aminopentanoylamino)benzamide;hydrochloride?
The canonical SMILES for 2-(4-aminopentanoylamino)benzamide;hydrochloride is CC(N)CCC(=O)Nc1ccccc1C(N)=O.Cl.
What is the InChIKey of 2-(4-aminopentanoylamino)benzamide;hydrochloride?
The InChIKey is BHQNAVOXHXIUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2.ClH/c1-8(13)6-7-11(16)15-10-5-3-2-4-9(10)12(14)17;/h2-5,8H,6-7,13H2,1H3,(H2,14,17)(H,15,16);1H.
What are the key properties of 2-(4-aminopentanoylamino)benzamide;hydrochloride?
2-(4-aminopentanoylamino)benzamide;hydrochloride has a molecular weight of 271.75 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopentanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 120558709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).