N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride

C20H23ClN2O2 — CID 119600470

IUPACN-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O2.ClH/c21-13-15-9-6-12-18(15)22-20(24)17-11-5-4-10-16(17)19(23)14-7-2-1-3-8-14;/h1-5,7-8,10-11,15,18H,6,9,12-13,21H2,(H,22,24);1H
InChIKeyWOOIYCMOWGIMHI-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride (PubChem CID 119600470) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
PubChem CID119600470
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C20H22N2O2.ClH/c21-13-15-9-6-12-18(15)22-20(24)17-11-5-4-10-16(17)19(23)14-7-2-1-3-8-14;/h1-5,7-8,10-11,15,18H,6,9,12-13,21H2,(H,22,24);1H
InChIKeyWOOIYCMOWGIMHI-UHFFFAOYSA-N
XLogP3.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclopentyl]-2-anilinobenzamide
CID 119601108
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119600661
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide
CID 119604933
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
N-[2-(aminomethyl)cyclopentyl]-2-(ethylsulfonylamino)benzamide
CID 119604509
N-[2-(aminomethyl)cyclopentyl]-2-(tetrazol-1-yl)benzamide
CID 119602087
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 62955505

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride (CID 119600470) is N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride?
The InChIKey is WOOIYCMOWGIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.ClH/c21-13-15-9-6-12-18(15)22-20(24)17-11-5-4-10-16(17)19(23)14-7-2-1-3-8-14;/h1-5,7-8,10-11,15,18H,6,9,12-13,21H2,(H,22,24);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride is sourced from PubChem (CID 119600470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).