3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide

C14H20BrN3O — CID 66009775

IUPAC3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C14H20BrN3O/c1-18(2)13-6-4-10(15)8-12(13)17-14(19)9-3-5-11(16)7-9/h4,6,8-9,11H,3,5,7,16H2,1-2H3,(H,17,19)
InChIKeyBDXGLLKNXFKNDF-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.58
Rot. Bonds3

About 3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide

3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide (PubChem CID 66009775) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
PubChem CID66009775
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
SMILESCN(C)c1ccc(Br)cc1NC(=O)C1CCC(N)C1
InChIInChI=1S/C14H20BrN3O/c1-18(2)13-6-4-10(15)8-12(13)17-14(19)9-3-5-11(16)7-9/h4,6,8-9,11H,3,5,7,16H2,1-2H3,(H,17,19)
InChIKeyBDXGLLKNXFKNDF-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603
N-[5-bromo-2-(dimethylamino)phenyl]-2-methylpiperidine-4-carboxamide
CID 106739102
3-amino-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119689774
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-amino-N-(4-bromo-2-ethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812502
3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
CID 115377268
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
N-[5-bromo-2-(dimethylamino)phenyl]acetamide
CID 60651446
(2R)-N-[5-bromo-2-(dimethylamino)phenyl]piperidine-2-carboxamide
CID 93268970
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505
2-[(3-aminocyclohexanecarbonyl)amino]-5-bromobenzoic acid
CID 63046627
3-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 119685455

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide (CID 66009775) is 3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide is CN(C)c1ccc(Br)cc1NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide?
The InChIKey is BDXGLLKNXFKNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-18(2)13-6-4-10(15)8-12(13)17-14(19)9-3-5-11(16)7-9/h4,6,8-9,11H,3,5,7,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66009775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).