N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride

C20H24ClN3O2 — CID 119603744

IUPACN-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O2.ClH/c21-13-16-7-4-8-18(16)23-20(25)15-9-11-17(12-10-15)22-19(24)14-5-2-1-3-6-14;/h1-3,5-6,9-12,16,18H,4,7-8,13,21H2,(H,22,24)(H,23,25);1H
InChIKeyDUKYWSAVYNPERW-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride (PubChem CID 119603744) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
PubChem CID119603744
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H23N3O2.ClH/c21-13-16-7-4-8-18(16)23-20(25)15-9-11-17(12-10-15)22-19(24)14-5-2-1-3-6-14;/h1-3,5-6,9-12,16,18H,4,7-8,13,21H2,(H,22,24)(H,23,25);1H
InChIKeyDUKYWSAVYNPERW-UHFFFAOYSA-N
XLogP3.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide
CID 119604775
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158
N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide
CID 119603863
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclohexyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119611483
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]benzamide;hydrochloride
CID 119611319
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
4-(aminomethyl)-N-(2-benzylcyclopentyl)benzamide;hydrochloride
CID 119329447

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride (CID 119603744) is N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride is Cl.NCC1CCCC1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride?
The InChIKey is DUKYWSAVYNPERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c21-13-16-7-4-8-18(16)23-20(25)15-9-11-17(12-10-15)22-19(24)14-5-2-1-3-6-14;/h1-3,5-6,9-12,16,18H,4,7-8,13,21H2,(H,22,24)(H,23,25);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride is sourced from PubChem (CID 119603744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).