5-bromo-2-(carbamoylamino)benzoic acid

C8H7BrN2O3 — CID 54593537

IUPAC5-bromo-2-(carbamoylamino)benzoic acid
SMILESNC(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C8H7BrN2O3/c9-4-1-2-6(11-8(10)14)5(3-4)7(12)13/h1-3H,(H,12,13)(H3,10,11,14)
InChIKeyGDBBPPGNIRGLGX-UHFFFAOYSA-N
MW259.06 g/mol
LogP1.64
Rot. Bonds2

About 5-bromo-2-(carbamoylamino)benzoic acid

5-bromo-2-(carbamoylamino)benzoic acid (PubChem CID 54593537) has the molecular formula C8H7BrN2O3 and a molecular weight of 259.06 g/mol. Its IUPAC name is 5-bromo-2-(carbamoylamino)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(carbamoylamino)benzoic acid
PubChem CID54593537
Molecular FormulaC8H7BrN2O3
Molecular Weight259.06 g/mol
Exact Mass257.96
IUPAC Name5-bromo-2-(carbamoylamino)benzoic acid
SMILESNC(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C8H7BrN2O3/c9-4-1-2-6(11-8(10)14)5(3-4)7(12)13/h1-3H,(H,12,13)(H3,10,11,14)
InChIKeyGDBBPPGNIRGLGX-UHFFFAOYSA-N
XLogP1.64
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-amino-2-oxoethyl)carbamoylamino]-5-bromobenzoic acid
CID 62075045
5-bromo-2-(prop-2-enoylamino)benzoic acid
CID 62072766
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702530
5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
CID 62074134
2-[(3-amino-2-methylbutanoyl)amino]-5-bromobenzoic acid
CID 113416305
(4-bromo-2-chlorophenyl)urea
CID 60759349
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
5-bromo-2-(3-phenylprop-2-enoylamino)benzoic acid
CID 72738376
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
5-bromo-2-(2,4-dibromoanilino)benzoic acid
CID 12925320
5-bromo-2-(naphthalene-1-carbonylamino)benzoic acid
CID 10090515
5-bromo-2-[(2-cyclopropylacetyl)amino]benzoic acid
CID 62074315

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(carbamoylamino)benzoic acid?
The IUPAC name of 5-bromo-2-(carbamoylamino)benzoic acid (CID 54593537) is 5-bromo-2-(carbamoylamino)benzoic acid.
What is the SMILES notation for 5-bromo-2-(carbamoylamino)benzoic acid?
The canonical SMILES for 5-bromo-2-(carbamoylamino)benzoic acid is NC(=O)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-(carbamoylamino)benzoic acid?
The InChIKey is GDBBPPGNIRGLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O3/c9-4-1-2-6(11-8(10)14)5(3-4)7(12)13/h1-3H,(H,12,13)(H3,10,11,14).
What are the key properties of 5-bromo-2-(carbamoylamino)benzoic acid?
5-bromo-2-(carbamoylamino)benzoic acid has a molecular weight of 259.06 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(carbamoylamino)benzoic acid is sourced from PubChem (CID 54593537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).