1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide

C12H13BrCl2N2O — CID 60867766

IUPAC1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2c(Cl)cc(Br)cc2Cl)CCCC1
InChIInChI=1S/C12H13BrCl2N2O/c13-7-5-8(14)10(9(15)6-7)17-11(18)12(16)3-1-2-4-12/h5-6H,1-4,16H2,(H,17,18)
InChIKeyPIFGAJZAPJCQDZ-UHFFFAOYSA-N
MW352.06 g/mol
LogP3.97
Rot. Bonds2

About 1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide

1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide (PubChem CID 60867766) has the molecular formula C12H13BrCl2N2O and a molecular weight of 352.06 g/mol. Its IUPAC name is 1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide
PubChem CID60867766
Molecular FormulaC12H13BrCl2N2O
Molecular Weight352.06 g/mol
Exact Mass349.96
IUPAC Name1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2c(Cl)cc(Br)cc2Cl)CCCC1
InChIInChI=1S/C12H13BrCl2N2O/c13-7-5-8(14)10(9(15)6-7)17-11(18)12(16)3-1-2-4-12/h5-6H,1-4,16H2,(H,17,18)
InChIKeyPIFGAJZAPJCQDZ-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.06
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(2,6-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 83079201
1-amino-N-(2-chloro-4,6-difluorophenyl)cyclopentane-1-carboxamide
CID 83087463
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
1-amino-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)cyclopentane-1-carboxamide
CID 60852266
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
CID 81167511
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
CID 43702659
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574361
1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306102
1-amino-N-(2,3,5,6-tetrafluorophenyl)cyclopentane-1-carboxamide
CID 107641668
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 107574452
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide (CID 60867766) is 1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide is NC1(C(=O)Nc2c(Cl)cc(Br)cc2Cl)CCCC1.
What is the InChIKey of 1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide?
The InChIKey is PIFGAJZAPJCQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrCl2N2O/c13-7-5-8(14)10(9(15)6-7)17-11(18)12(16)3-1-2-4-12/h5-6H,1-4,16H2,(H,17,18).
What are the key properties of 1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide?
1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide has a molecular weight of 352.06 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-bromo-2,6-dichlorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60867766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).