5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride

C22H27Cl2N3O2 — CID 119731750

IUPAC5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CCC(N)C2)ccc1Cl.Cl
InChIInChI=1S/C22H26ClN3O2.ClH/c1-2-26(14-15-6-4-3-5-7-15)22(28)19-13-18(10-11-20(19)23)25-21(27)16-8-9-17(24)12-16;/h3-7,10-11,13,16-17H,2,8-9,12,14,24H2,1H3,(H,25,27);1H
InChIKeyYPGSFFYOTSBLJB-UHFFFAOYSA-N
MW436.38 g/mol
LogP4.49
Rot. Bonds6

About 5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride

5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride (PubChem CID 119731750) has the molecular formula C22H27Cl2N3O2 and a molecular weight of 436.38 g/mol. Its IUPAC name is 5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
PubChem CID119731750
Molecular FormulaC22H27Cl2N3O2
Molecular Weight436.38 g/mol
Exact Mass435.15
IUPAC Name5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CCC(N)C2)ccc1Cl.Cl
InChIInChI=1S/C22H26ClN3O2.ClH/c1-2-26(14-15-6-4-3-5-7-15)22(28)19-13-18(10-11-20(19)23)25-21(27)16-8-9-17(24)12-16;/h3-7,10-11,13,16-17H,2,8-9,12,14,24H2,1H3,(H,25,27);1H
InChIKeyYPGSFFYOTSBLJB-UHFFFAOYSA-N
XLogP4.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119732638
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119685392
5-(4-aminopentanoylamino)-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
CID 120560598
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide
CID 119685393
4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711657
4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672558
3-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119717914
3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119750884
4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119737826
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
5-[(3-aminocyclohexanecarbonyl)amino]-2-chloro-N-methylbenzamide;hydrochloride
CID 119738470

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride?
The IUPAC name of 5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride (CID 119731750) is 5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride.
What is the SMILES notation for 5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride?
The canonical SMILES for 5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride is CCN(Cc1ccccc1)C(=O)c1cc(NC(=O)C2CCC(N)C2)ccc1Cl.Cl.
What is the InChIKey of 5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride?
The InChIKey is YPGSFFYOTSBLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2.ClH/c1-2-26(14-15-6-4-3-5-7-15)22(28)19-13-18(10-11-20(19)23)25-21(27)16-8-9-17(24)12-16;/h3-7,10-11,13,16-17H,2,8-9,12,14,24H2,1H3,(H,25,27);1H.
What are the key properties of 5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride?
5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride has a molecular weight of 436.38 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride is sourced from PubChem (CID 119731750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).