3-amino-5-bromo-N-cyclopentylbenzamide

C12H15BrN2O — CID 75537164

IUPAC3-amino-5-bromo-N-cyclopentylbenzamide
SMILESNc1cc(Br)cc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C12H15BrN2O/c13-9-5-8(6-10(14)7-9)12(16)15-11-3-1-2-4-11/h5-7,11H,1-4,14H2,(H,15,16)
InChIKeyUTOBNVWWBOFANR-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.70
Rot. Bonds2

About 3-amino-5-bromo-N-cyclopentylbenzamide

3-amino-5-bromo-N-cyclopentylbenzamide (PubChem CID 75537164) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-amino-5-bromo-N-cyclopentylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-cyclopentylbenzamide
PubChem CID75537164
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-amino-5-bromo-N-cyclopentylbenzamide
SMILESNc1cc(Br)cc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C12H15BrN2O/c13-9-5-8(6-10(14)7-9)12(16)15-11-3-1-2-4-11/h5-7,11H,1-4,14H2,(H,15,16)
InChIKeyUTOBNVWWBOFANR-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.70
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

3,5-diamino-N-cyclooctylbenzamide
CID 61092511
3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098
3-amino-5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965099
3-amino-5-bromo-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034725
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide
CID 161335103
4-bromo-N-cycloheptylbenzamide
CID 2843132
4-bromo-N-cyclooctylbenzamide
CID 902872
4-bromo-N-cyclohexyl-3,5-difluorobenzamide
CID 172646662
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-cyclopentylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-cyclopentylbenzamide (CID 75537164) is 3-amino-5-bromo-N-cyclopentylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-cyclopentylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-cyclopentylbenzamide is Nc1cc(Br)cc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 3-amino-5-bromo-N-cyclopentylbenzamide?
The InChIKey is UTOBNVWWBOFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-9-5-8(6-10(14)7-9)12(16)15-11-3-1-2-4-11/h5-7,11H,1-4,14H2,(H,15,16).
What are the key properties of 3-amino-5-bromo-N-cyclopentylbenzamide?
3-amino-5-bromo-N-cyclopentylbenzamide has a molecular weight of 283.17 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-cyclopentylbenzamide is sourced from PubChem (CID 75537164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).