5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide

C14H20ClN3O — CID 79461229

IUPAC5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NC2CCC(N)C2)ccc1Cl
InChIInChI=1S/C14H20ClN3O/c1-18(2)14(19)12-8-11(5-6-13(12)15)17-10-4-3-9(16)7-10/h5-6,8-10,17H,3-4,7,16H2,1-2H3
InChIKeyZERRTCKUQHHBQU-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.33
Rot. Bonds3

About 5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide

5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide (PubChem CID 79461229) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide
PubChem CID79461229
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(NC2CCC(N)C2)ccc1Cl
InChIInChI=1S/C14H20ClN3O/c1-18(2)14(19)12-8-11(5-6-13(12)15)17-10-4-3-9(16)7-10/h5-6,8-10,17H,3-4,7,16H2,1-2H3
InChIKeyZERRTCKUQHHBQU-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminocyclopentyl)amino]-N,N-dimethylbenzamide
CID 79461660
2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
CID 63335405
2-[(3-aminocyclopentyl)amino]-N,N-dimethylbenzamide
CID 79462007
2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 43709780
3-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119718964
2-chloro-N,N-dimethyl-5-[(2-methylcyclopentyl)amino]benzamide
CID 65044373
2-[(4-aminocyclohexyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 79730315
2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide
CID 79957292
3-[(4-aminocyclohexyl)amino]-N,N-dimethylbenzamide
CID 79731247
2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide
CID 166030988
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724276

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide?
The IUPAC name of 5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide (CID 79461229) is 5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(NC2CCC(N)C2)ccc1Cl.
What is the InChIKey of 5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide?
The InChIKey is ZERRTCKUQHHBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(2)14(19)12-8-11(5-6-13(12)15)17-10-4-3-9(16)7-10/h5-6,8-10,17H,3-4,7,16H2,1-2H3.
What are the key properties of 5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide?
5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide has a molecular weight of 281.79 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 79461229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).