3-bromo-N-cyclopropylbenzamide

C10H10BrNO — CID 896152

IUPAC3-bromo-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5H2,(H,12,13)
InChIKeyTZOROVSHSRTGHY-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.34
Rot. Bonds2

About 3-bromo-N-cyclopropylbenzamide

3-bromo-N-cyclopropylbenzamide (PubChem CID 896152) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-bromo-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropylbenzamide
PubChem CID896152
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name3-bromo-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1cccc(Br)c1
InChIInChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5H2,(H,12,13)
InChIKeyTZOROVSHSRTGHY-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropylbenzamide?
The IUPAC name of 3-bromo-N-cyclopropylbenzamide (CID 896152) is 3-bromo-N-cyclopropylbenzamide.
What is the SMILES notation for 3-bromo-N-cyclopropylbenzamide?
The canonical SMILES for 3-bromo-N-cyclopropylbenzamide is O=C(NC1CC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-cyclopropylbenzamide?
The InChIKey is TZOROVSHSRTGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5H2,(H,12,13).
What are the key properties of 3-bromo-N-cyclopropylbenzamide?
3-bromo-N-cyclopropylbenzamide has a molecular weight of 240.10 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropylbenzamide is sourced from PubChem (CID 896152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).