N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride

C21H25ClFN3O2 — CID 119605190

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC2CCCC2CN)c1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C21H24FN3O2.ClH/c1-13-6-4-9-16(21(27)24-18-11-5-7-14(18)12-23)19(13)25-20(26)15-8-2-3-10-17(15)22;/h2-4,6,8-10,14,18H,5,7,11-12,23H2,1H3,(H,24,27)(H,25,26);1H
InChIKeyDZANFSQGENDVOG-UHFFFAOYSA-N
MW405.90 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride (PubChem CID 119605190) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
PubChem CID119605190
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC2CCCC2CN)c1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C21H24FN3O2.ClH/c1-13-6-4-9-16(21(27)24-18-11-5-7-14(18)12-23)19(13)25-20(26)15-8-2-3-10-17(15)22;/h2-4,6,8-10,14,18H,5,7,11-12,23H2,1H3,(H,24,27)(H,25,26);1H
InChIKeyDZANFSQGENDVOG-UHFFFAOYSA-N
XLogP3.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119617713
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119592070
2-[(2-fluorobenzoyl)amino]-3-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429147
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
2-[(2-fluorobenzoyl)amino]-3-methyl-N-[(3S)-thian-3-yl]benzamide
CID 97319528
N-[2-(aminomethyl)cyclopentyl]-2-(2,6-dimethylanilino)acetamide
CID 119605321
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride (CID 119605190) is N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride is Cc1cccc(C(=O)NC2CCCC2CN)c1NC(=O)c1ccccc1F.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
The InChIKey is DZANFSQGENDVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2.ClH/c1-13-6-4-9-16(21(27)24-18-11-5-7-14(18)12-23)19(13)25-20(26)15-8-2-3-10-17(15)22;/h2-4,6,8-10,14,18H,5,7,11-12,23H2,1H3,(H,24,27)(H,25,26);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride has a molecular weight of 405.90 g/mol, XLogP of 3.67, 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]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 119605190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).