N-(3-bromophenyl)-2-methylfuran-3-carboxamide

C12H10BrNO2 — CID 896319

IUPACN-(3-bromophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H10BrNO2/c1-8-11(5-6-16-8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15)
InChIKeyMENZISOLNKKMKR-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.60
Rot. Bonds2

About N-(3-bromophenyl)-2-methylfuran-3-carboxamide

N-(3-bromophenyl)-2-methylfuran-3-carboxamide (PubChem CID 896319) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-methylfuran-3-carboxamide
PubChem CID896319
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC NameN-(3-bromophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H10BrNO2/c1-8-11(5-6-16-8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15)
InChIKeyMENZISOLNKKMKR-UHFFFAOYSA-N
XLogP3.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-methylfuran-3-carboxamide (CID 896319) is N-(3-bromophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is MENZISOLNKKMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-8-11(5-6-16-8)12(15)14-10-4-2-3-9(13)7-10/h2-7H,1H3,(H,14,15).
What are the key properties of N-(3-bromophenyl)-2-methylfuran-3-carboxamide?
N-(3-bromophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 280.12 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 896319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).