2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide

C15H21ClN2O3 — CID 82764359

IUPAC2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2(C)CCCC2N)cc1OC
InChIInChI=1S/C15H21ClN2O3/c1-15(6-4-5-13(15)17)14(19)18-10-8-12(21-3)11(20-2)7-9(10)16/h7-8,13H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyDUOGDXGKXCTEOI-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.81
Rot. Bonds4

About 2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82764359) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82764359
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCOc1cc(Cl)c(NC(=O)C2(C)CCCC2N)cc1OC
InChIInChI=1S/C15H21ClN2O3/c1-15(6-4-5-13(15)17)14(19)18-10-8-12(21-3)11(20-2)7-9(10)16/h7-8,13H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyDUOGDXGKXCTEOI-UHFFFAOYSA-N
XLogP2.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765908
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-methoxybenzamide
CID 82763579
2-amino-N-(2-methoxy-5-nitrophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765869
2-amino-N-(2-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82768541
methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate
CID 82764559
2-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-chlorobenzoic acid
CID 82768134
2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82763741
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 103292391
4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
CID 115293932
2-amino-N-(3-bromo-5-methoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 82868221
2-amino-N-(6-chloro-2-pyridinyl)-1-methylcyclopentane-1-carboxamide
CID 82767561
2-amino-N-(4-bromo-2,5-difluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 107611664

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide (CID 82764359) is 2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide is COc1cc(Cl)c(NC(=O)C2(C)CCCC2N)cc1OC.
What is the InChIKey of 2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is DUOGDXGKXCTEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-15(6-4-5-13(15)17)14(19)18-10-8-12(21-3)11(20-2)7-9(10)16/h7-8,13H,4-6,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4,5-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82764359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).