3-amino-4-bromo-N-(cyclopentylmethyl)benzamide

C13H17BrN2O — CID 61095376

IUPAC3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
SMILESNc1cc(C(=O)NCC2CCCC2)ccc1Br
InChIInChI=1S/C13H17BrN2O/c14-11-6-5-10(7-12(11)15)13(17)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8,15H2,(H,16,17)
InChIKeyKGQBULGMXINPAR-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-4-bromo-N-(cyclopentylmethyl)benzamide

3-amino-4-bromo-N-(cyclopentylmethyl)benzamide (PubChem CID 61095376) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-amino-4-bromo-N-(cyclopentylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
PubChem CID61095376
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
SMILESNc1cc(C(=O)NCC2CCCC2)ccc1Br
InChIInChI=1S/C13H17BrN2O/c14-11-6-5-10(7-12(11)15)13(17)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8,15H2,(H,16,17)
InChIKeyKGQBULGMXINPAR-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.95
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

3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
3-amino-N-(cyclohexylmethyl)-4-(dimethylamino)benzamide
CID 61094001
3-amino-4-bromo-N-[(1,1-dioxothiolan-2-yl)methyl]benzamide
CID 81041972
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
3-amino-4-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79352767
3-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16795062
3,5-diamino-N-(cyclopentylmethyl)benzamide
CID 61095768
3-amino-N-(cyclobutylmethyl)-4-(trifluoromethoxy)benzamide
CID 116628568
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-(cyclopentylmethyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-(cyclopentylmethyl)benzamide (CID 61095376) is 3-amino-4-bromo-N-(cyclopentylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-(cyclopentylmethyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-(cyclopentylmethyl)benzamide is Nc1cc(C(=O)NCC2CCCC2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-(cyclopentylmethyl)benzamide?
The InChIKey is KGQBULGMXINPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-11-6-5-10(7-12(11)15)13(17)16-8-9-3-1-2-4-9/h5-7,9H,1-4,8,15H2,(H,16,17).
What are the key properties of 3-amino-4-bromo-N-(cyclopentylmethyl)benzamide?
3-amino-4-bromo-N-(cyclopentylmethyl)benzamide has a molecular weight of 297.20 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-(cyclopentylmethyl)benzamide is sourced from PubChem (CID 61095376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).