2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide

C15H21ClN2O — CID 115540774

IUPAC2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide
SMILESCCC1CCC(NC(=O)c2cccc(Cl)c2N)C1C
InChIInChI=1S/C15H21ClN2O/c1-3-10-7-8-13(9(10)2)18-15(19)11-5-4-6-12(16)14(11)17/h4-6,9-10,13H,3,7-8,17H2,1-2H3,(H,18,19)
InChIKeyPMBGDHLEWMSBRN-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.48
Rot. Bonds3

About 2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide

2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide (PubChem CID 115540774) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide
PubChem CID115540774
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide
SMILESCCC1CCC(NC(=O)c2cccc(Cl)c2N)C1C
InChIInChI=1S/C15H21ClN2O/c1-3-10-7-8-13(9(10)2)18-15(19)11-5-4-6-12(16)14(11)17/h4-6,9-10,13H,3,7-8,17H2,1-2H3,(H,18,19)
InChIKeyPMBGDHLEWMSBRN-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-ethyl-2-methylcyclopentyl)-3-methylbenzamide
CID 64923284
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829272
2-amino-N-(3-ethyl-2-methylcyclopentyl)pyridine-3-carboxamide
CID 64915258
2,4-diamino-N-(3-ethyl-2-methylcyclopentyl)benzamide
CID 64921700
2-amino-N-(3-ethyl-2-methylcyclopentyl)-6-methylbenzamide
CID 64923476
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 115540437
N-(3-ethyl-2-methylcyclopentyl)-2-hydrazinyl-5-methylbenzamide
CID 64914858
2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
CID 115540566
5-chloro-2-(ethylamino)-N-(3-ethyl-2-methylcyclopentyl)pyridine-4-carboxamide
CID 114923849
3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol
CID 113276518
3-amino-N-(3-ethyl-2-methylcyclopentyl)-4-methylbenzamide
CID 64923475

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide (CID 115540774) is 2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide is CCC1CCC(NC(=O)c2cccc(Cl)c2N)C1C.
What is the InChIKey of 2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide?
The InChIKey is PMBGDHLEWMSBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-10-7-8-13(9(10)2)18-15(19)11-5-4-6-12(16)14(11)17/h4-6,9-10,13H,3,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide?
2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(3-ethyl-2-methylcyclopentyl)benzamide is sourced from PubChem (CID 115540774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).