3-bromo-N-(cyclopentylideneamino)benzamide

C12H13BrN2O — CID 792227

IUPAC3-bromo-N-(cyclopentylideneamino)benzamide
SMILESO=C(NN=C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C12H13BrN2O/c13-10-5-3-4-9(8-10)12(16)15-14-11-6-1-2-7-11/h3-5,8H,1-2,6-7H2,(H,15,16)
InChIKeyTWKADILAHISCSE-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.11
Rot. Bonds2

About 3-bromo-N-(cyclopentylideneamino)benzamide

3-bromo-N-(cyclopentylideneamino)benzamide (PubChem CID 792227) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 3-bromo-N-(cyclopentylideneamino)benzamide.

Molecular Properties

Compound Name3-bromo-N-(cyclopentylideneamino)benzamide
PubChem CID792227
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name3-bromo-N-(cyclopentylideneamino)benzamide
SMILESO=C(NN=C1CCCC1)c1cccc(Br)c1
InChIInChI=1S/C12H13BrN2O/c13-10-5-3-4-9(8-10)12(16)15-14-11-6-1-2-7-11/h3-5,8H,1-2,6-7H2,(H,15,16)
InChIKeyTWKADILAHISCSE-UHFFFAOYSA-N
XLogP3.11
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopentylideneamino)benzamide?
The IUPAC name of 3-bromo-N-(cyclopentylideneamino)benzamide (CID 792227) is 3-bromo-N-(cyclopentylideneamino)benzamide.
What is the SMILES notation for 3-bromo-N-(cyclopentylideneamino)benzamide?
The canonical SMILES for 3-bromo-N-(cyclopentylideneamino)benzamide is O=C(NN=C1CCCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(cyclopentylideneamino)benzamide?
The InChIKey is TWKADILAHISCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c13-10-5-3-4-9(8-10)12(16)15-14-11-6-1-2-7-11/h3-5,8H,1-2,6-7H2,(H,15,16).
What are the key properties of 3-bromo-N-(cyclopentylideneamino)benzamide?
3-bromo-N-(cyclopentylideneamino)benzamide has a molecular weight of 281.15 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopentylideneamino)benzamide is sourced from PubChem (CID 792227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).