1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide

C13H17IN2O — CID 60853897

IUPAC1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCCC2)cc1I
InChIInChI=1S/C13H17IN2O/c1-9-4-5-10(8-11(9)14)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyWBJMKBPQYAXTCL-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.81
Rot. Bonds2

About 1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide

1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 60853897) has the molecular formula C13H17IN2O and a molecular weight of 344.20 g/mol. Its IUPAC name is 1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
PubChem CID60853897
Molecular FormulaC13H17IN2O
Molecular Weight344.20 g/mol
Exact Mass344.04
IUPAC Name1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(N)CCCC2)cc1I
InChIInChI=1S/C13H17IN2O/c1-9-4-5-10(8-11(9)14)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyWBJMKBPQYAXTCL-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119263744
N-(4-acetamido-3-methylphenyl)-1-aminocyclopentane-1-carboxamide
CID 60868462
1-amino-N-[4-methyl-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81168565
5-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119337791
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119318653
4-[(1-aminocyclopentanecarbonyl)amino]-N,N,2-trimethylbenzamide
CID 119332635
1-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]cyclobutane-1-carboxamide
CID 81171897
5-[(1-aminocyclohexanecarbonyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 119321734
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide (CID 60853897) is 1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2(N)CCCC2)cc1I.
What is the InChIKey of 1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is WBJMKBPQYAXTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O/c1-9-4-5-10(8-11(9)14)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide?
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 344.20 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60853897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).