N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide

C14H18Br2N2O — CID 107174811

IUPACN-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O/c1-14(2)5-3-4-9(14)13(19)18-12-10(16)6-8(15)7-11(12)17/h6-7,9H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyJEMVKRMTQYQABR-UHFFFAOYSA-N
MW390.12 g/mol
LogP4.56
Rot. Bonds2

About N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107174811) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107174811
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC NameN-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C14H18Br2N2O/c1-14(2)5-3-4-9(14)13(19)18-12-10(16)6-8(15)7-11(12)17/h6-7,9H,3-5,17H2,1-2H3,(H,18,19)
InChIKeyJEMVKRMTQYQABR-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 54.56
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

N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174941
N-(2-amino-4,6-dibromophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477015
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174944
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174844
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid
CID 107175446
3-bromo-2-[(2,2-dimethylcyclohexanecarbonyl)amino]benzoic acid
CID 107175448
N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174932
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-(5-fluoro-2-sulfamoylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107182877
2-bromo-4-[(2,2-dimethylcyclopentanecarbonyl)amino]benzenesulfonyl chloride
CID 107176181

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107174811) is N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1c(N)cc(Br)cc1Br.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is JEMVKRMTQYQABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-14(2)5-3-4-9(14)13(19)18-12-10(16)6-8(15)7-11(12)17/h6-7,9H,3-5,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 390.12 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).