2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid

C12H7BrClNO3S — CID 43171469

IUPAC2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H7BrClNO3S/c13-6-1-2-9(14)8(5-6)10(16)15-11-7(12(17)18)3-4-19-11/h1-5H,(H,15,16)(H,17,18)
InChIKeyCXPRGUPTCMTHMS-UHFFFAOYSA-N
MW360.62 g/mol
LogP4.11
Rot. Bonds3

About 2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid

2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 43171469) has the molecular formula C12H7BrClNO3S and a molecular weight of 360.62 g/mol. Its IUPAC name is 2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID43171469
Molecular FormulaC12H7BrClNO3S
Molecular Weight360.62 g/mol
Exact Mass358.90
IUPAC Name2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H7BrClNO3S/c13-6-1-2-9(14)8(5-6)10(16)15-11-7(12(17)18)3-4-19-11/h1-5H,(H,15,16)(H,17,18)
InChIKeyCXPRGUPTCMTHMS-UHFFFAOYSA-N
XLogP4.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.62
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
2-[(4-bromo-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113553
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
2-[(4-bromo-2-chlorobenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616323
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357342
2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide
CID 79721900
2-benzamidothiophene-3-carboxylic acid
CID 16639461
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 16524597
2-[(3-chloro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 43515064
2-[3-(4-bromophenyl)propanoylamino]thiophene-3-carboxylic acid
CID 69408719
5-[(5-bromo-2-chlorobenzoyl)amino]-2-hydroxy-3-methylbenzoic acid
CID 28667958

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid (CID 43171469) is 2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)c1cc(Br)ccc1Cl.
What is the InChIKey of 2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is CXPRGUPTCMTHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClNO3S/c13-6-1-2-9(14)8(5-6)10(16)15-11-7(12(17)18)3-4-19-11/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid?
2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 360.62 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-chlorobenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43171469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).