3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid

C11H10Br2N2O3 — CID 55177304

IUPAC3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid
SMILESO=C(Nc1c(Br)cc(Br)cc1C(=O)O)NC1CC1
InChIInChI=1S/C11H10Br2N2O3/c12-5-3-7(10(16)17)9(8(13)4-5)15-11(18)14-6-1-2-6/h3-4,6H,1-2H2,(H,16,17)(H2,14,15,18)
InChIKeyNZSUIRCRSKYRFM-UHFFFAOYSA-N
MW378.02 g/mol
LogP3.19
Rot. Bonds3

About 3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid

3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid (PubChem CID 55177304) has the molecular formula C11H10Br2N2O3 and a molecular weight of 378.02 g/mol. Its IUPAC name is 3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid
PubChem CID55177304
Molecular FormulaC11H10Br2N2O3
Molecular Weight378.02 g/mol
Exact Mass375.91
IUPAC Name3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid
SMILESO=C(Nc1c(Br)cc(Br)cc1C(=O)O)NC1CC1
InChIInChI=1S/C11H10Br2N2O3/c12-5-3-7(10(16)17)9(8(13)4-5)15-11(18)14-6-1-2-6/h3-4,6H,1-2H2,(H,16,17)(H2,14,15,18)
InChIKeyNZSUIRCRSKYRFM-UHFFFAOYSA-N
XLogP3.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.02
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-2-[(2,2-dimethylcyclopropyl)carbamoylamino]benzoic acid
CID 63549679
3-[(2,4,6-tribromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031213
3,5-dibromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405452
3,5-dibromo-2-(dimethylaminocarbamoylamino)benzoic acid
CID 83019246
3,5-dibromo-2-(2-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 63112216
3,5-dibromo-2-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168610511
3,5-dibromo-2-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63112365
3,5-dibromo-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 63112309
3,5-dibromo-2-(3-methylsulfanylpropanoylamino)benzoic acid
CID 55176918
3,5-dibromo-2-[(2-ethoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 63112343
3,5-dibromo-2-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824438
2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid?
The IUPAC name of 3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid (CID 55177304) is 3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid.
What is the SMILES notation for 3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid?
The canonical SMILES for 3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid is O=C(Nc1c(Br)cc(Br)cc1C(=O)O)NC1CC1.
What is the InChIKey of 3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid?
The InChIKey is NZSUIRCRSKYRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O3/c12-5-3-7(10(16)17)9(8(13)4-5)15-11(18)14-6-1-2-6/h3-4,6H,1-2H2,(H,16,17)(H2,14,15,18).
What are the key properties of 3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid?
3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid has a molecular weight of 378.02 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-(cyclopropylcarbamoylamino)benzoic acid is sourced from PubChem (CID 55177304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).