5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride

C20H22Cl2FN3O2 — CID 119286595

IUPAC5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)CCCC1
InChIInChI=1S/C20H21ClFN3O2.ClH/c21-16-8-7-14(25-19(27)20(23)9-3-4-10-20)11-15(16)18(26)24-12-13-5-1-2-6-17(13)22;/h1-2,5-8,11H,3-4,9-10,12,23H2,(H,24,26)(H,25,27);1H
InChIKeyBSIHOIROPYINRS-UHFFFAOYSA-N
MW426.32 g/mol
LogP4.04
Rot. Bonds5

About 5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride

5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride (PubChem CID 119286595) has the molecular formula C20H22Cl2FN3O2 and a molecular weight of 426.32 g/mol. Its IUPAC name is 5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
PubChem CID119286595
Molecular FormulaC20H22Cl2FN3O2
Molecular Weight426.32 g/mol
Exact Mass425.11
IUPAC Name5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)CCCC1
InChIInChI=1S/C20H21ClFN3O2.ClH/c21-16-8-7-14(25-19(27)20(23)9-3-4-10-20)11-15(16)18(26)24-12-13-5-1-2-6-17(13)22;/h1-2,5-8,11H,3-4,9-10,12,23H2,(H,24,26)(H,25,27);1H
InChIKeyBSIHOIROPYINRS-UHFFFAOYSA-N
XLogP4.04
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-ethylbenzamide
CID 131910931
N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286589
N-[4-chloro-3-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119286599
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
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1-amino-N-(4-chloro-3-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119708317
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 60867022
2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27163581
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281111
5-[(1-aminocyclopropanecarbonyl)amino]-2-chlorobenzoic acid
CID 65464876
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975773

Frequently Asked Questions

What is the IUPAC name of 5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
The IUPAC name of 5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride (CID 119286595) is 5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3F)c2)CCCC1.
What is the InChIKey of 5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
The InChIKey is BSIHOIROPYINRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2.ClH/c21-16-8-7-14(25-19(27)20(23)9-3-4-10-20)11-15(16)18(26)24-12-13-5-1-2-6-17(13)22;/h1-2,5-8,11H,3-4,9-10,12,23H2,(H,24,26)(H,25,27);1H.
What are the key properties of 5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride has a molecular weight of 426.32 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-aminocyclopentanecarbonyl)amino]-2-chloro-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119286595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).