2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride

C16H23ClN4O3 — CID 119773483

IUPAC2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride
SMILESCl.NC(=O)CCNC(=O)c1ccccc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C16H22N4O3.ClH/c17-11-6-5-10(9-11)15(22)20-13-4-2-1-3-12(13)16(23)19-8-7-14(18)21;/h1-4,10-11H,5-9,17H2,(H2,18,21)(H,19,23)(H,20,22);1H
InChIKeyQNLXROGEFNMJIR-UHFFFAOYSA-N
MW354.84 g/mol
LogP0.78
Rot. Bonds6

About 2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride

2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride (PubChem CID 119773483) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride
PubChem CID119773483
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC Name2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride
SMILESCl.NC(=O)CCNC(=O)c1ccccc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C16H22N4O3.ClH/c17-11-6-5-10(9-11)15(22)20-13-4-2-1-3-12(13)16(23)19-8-7-14(18)21;/h1-4,10-11H,5-9,17H2,(H2,18,21)(H,19,23)(H,20,22);1H
InChIKeyQNLXROGEFNMJIR-UHFFFAOYSA-N
XLogP0.78
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide
CID 119684630
tert-butyl 4-[[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 56515888
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
1-N,4-N-bis[2-(2-phenylethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 4930342
3-amino-N-(2-phenylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119675324
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 56516659
3-amino-N-(2,3-difluorophenyl)cyclopentane-1-carboxamide
CID 66009400
3-amino-N-(2-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
CID 66010182
3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603
3-amino-N-(2-phenylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674872

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride?
The IUPAC name of 2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride (CID 119773483) is 2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride?
The canonical SMILES for 2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride is Cl.NC(=O)CCNC(=O)c1ccccc1NC(=O)C1CCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride?
The InChIKey is QNLXROGEFNMJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3.ClH/c17-11-6-5-10(9-11)15(22)20-13-4-2-1-3-12(13)16(23)19-8-7-14(18)21;/h1-4,10-11H,5-9,17H2,(H2,18,21)(H,19,23)(H,20,22);1H.
What are the key properties of 2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride?
2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride has a molecular weight of 354.84 g/mol, XLogP of 0.78, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclopentanecarbonyl)amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride is sourced from PubChem (CID 119773483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).