2-bromo-N-carbamoylbenzamide

C8H7BrN2O2 — CID 3021594

IUPAC2-bromo-N-carbamoylbenzamide
SMILESNC(=O)NC(=O)c1ccccc1Br
InChIInChI=1S/C8H7BrN2O2/c9-6-4-2-1-3-5(6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13)
InChIKeyYMLPBGILPYOYJR-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.26
Rot. Bonds1

About 2-bromo-N-carbamoylbenzamide

2-bromo-N-carbamoylbenzamide (PubChem CID 3021594) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 2-bromo-N-carbamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-carbamoylbenzamide
PubChem CID3021594
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name2-bromo-N-carbamoylbenzamide
SMILESNC(=O)NC(=O)c1ccccc1Br
InChIInChI=1S/C8H7BrN2O2/c9-6-4-2-1-3-5(6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13)
InChIKeyYMLPBGILPYOYJR-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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Related Compounds

Benzoylurea
CID 69190
2-Bromo-N-methylbenzamide
CID 264945
2-bromo-N-hydroxybenzamide
CID 24701375
2-Bromobenzamide
CID 77616
N-(benzoylcarbamoyl)benzamide
CID 230485
N-(Aminocarbonyl)-4-methylbenzamide
CID 99274
N-Allyl-2-bromobenzamide
CID 1591515
2-bromo-N-[(butylamino)carbonothioyl]benzamide
CID 1581363
N-(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)m-bromobenzamide
CID 2148535
N-(benzylcarbamothioyl)-2-bromobenzamide
CID 694357
N-(2-aminoethyl)-2-bromobenzamide
CID 14977546
n-(Carbamoylcarbamoyl)benzamide
CID 222303

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-carbamoylbenzamide?
The IUPAC name of 2-bromo-N-carbamoylbenzamide (CID 3021594) is 2-bromo-N-carbamoylbenzamide.
What is the SMILES notation for 2-bromo-N-carbamoylbenzamide?
The canonical SMILES for 2-bromo-N-carbamoylbenzamide is NC(=O)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-carbamoylbenzamide?
The InChIKey is YMLPBGILPYOYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c9-6-4-2-1-3-5(6)7(12)11-8(10)13/h1-4H,(H3,10,11,12,13).
What are the key properties of 2-bromo-N-carbamoylbenzamide?
2-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 2-bromo-N-carbamoylbenzamide is sourced from PubChem (CID 3021594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).