3-bromo-N-carbamoylbenzamide

C8H7BrN2O2 — CID 3040256

IUPAC3-bromo-N-carbamoylbenzamide
SMILESNC(=O)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C8H7BrN2O2/c9-6-3-1-2-5(4-6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13)
InChIKeyUKNKWDNRCNPDFE-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.26
Rot. Bonds1

About 3-bromo-N-carbamoylbenzamide

3-bromo-N-carbamoylbenzamide (PubChem CID 3040256) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 3-bromo-N-carbamoylbenzamide.

Molecular Properties

Compound Name3-bromo-N-carbamoylbenzamide
PubChem CID3040256
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name3-bromo-N-carbamoylbenzamide
SMILESNC(=O)NC(=O)c1cccc(Br)c1
InChIInChI=1S/C8H7BrN2O2/c9-6-3-1-2-5(4-6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13)
InChIKeyUKNKWDNRCNPDFE-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-carbamoylbenzamide?
The IUPAC name of 3-bromo-N-carbamoylbenzamide (CID 3040256) is 3-bromo-N-carbamoylbenzamide.
What is the SMILES notation for 3-bromo-N-carbamoylbenzamide?
The canonical SMILES for 3-bromo-N-carbamoylbenzamide is NC(=O)NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-carbamoylbenzamide?
The InChIKey is UKNKWDNRCNPDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c9-6-3-1-2-5(4-6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13).
What are the key properties of 3-bromo-N-carbamoylbenzamide?
3-bromo-N-carbamoylbenzamide has a molecular weight of 243.06 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-carbamoylbenzamide is sourced from PubChem (CID 3040256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).