N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide

C15H21BrN2O — CID 106127955

IUPACN-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCC2CCC(Br)C2)cc1
InChIInChI=1S/C15H21BrN2O/c1-18(2)14-7-4-12(5-8-14)15(19)17-10-11-3-6-13(16)9-11/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3,(H,17,19)
InChIKeyZGXVRJZTKOZOBY-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.05
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide

N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide (PubChem CID 106127955) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide
PubChem CID106127955
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCC2CCC(Br)C2)cc1
InChIInChI=1S/C15H21BrN2O/c1-18(2)14-7-4-12(5-8-14)15(19)17-10-11-3-6-13(16)9-11/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3,(H,17,19)
InChIKeyZGXVRJZTKOZOBY-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromocyclopentyl)methyl]-3,4-dimethylbenzamide
CID 114147220
N-[(3-bromocyclopentyl)methyl]-3,4-dichlorobenzamide
CID 114147272
N-[(3-bromocyclopentyl)methyl]-3-chloro-4-methylbenzamide
CID 106127832
N-[(3-bromocyclopentyl)methyl]-4-chloro-3-methylbenzamide
CID 106129095
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
N-[(3-bromocyclopentyl)methyl]-3-methoxy-4-methylbenzamide
CID 106128639
N-[(4-bromocyclohexyl)methyl]-4-methylsulfanylbenzamide
CID 106134799
N-[(4-bromocyclohexyl)methyl]benzamide
CID 106134088
N-[(3-bromocyclopentyl)methyl]-2-methylbenzamide
CID 106128335
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106128022
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
3-amino-4-(dimethylamino)-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411021

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide (CID 106127955) is N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCC2CCC(Br)C2)cc1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide?
The InChIKey is ZGXVRJZTKOZOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-18(2)14-7-4-12(5-8-14)15(19)17-10-11-3-6-13(16)9-11/h4-5,7-8,11,13H,3,6,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide?
N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide has a molecular weight of 325.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 106127955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).