3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid

C13H13Br2NO3 — CID 103550238

IUPAC3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cc(Br)ccc2Br)C1
InChIInChI=1S/C13H13Br2NO3/c14-9-3-4-10(15)11(6-9)16-12(17)7-1-2-8(5-7)13(18)19/h3-4,6-8H,1-2,5H2,(H,16,17)(H,18,19)
InChIKeySXGCSCVSKLXNTE-UHFFFAOYSA-N
MW391.06 g/mol
LogP3.65
Rot. Bonds3

About 3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550238) has the molecular formula C13H13Br2NO3 and a molecular weight of 391.06 g/mol. Its IUPAC name is 3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550238
Molecular FormulaC13H13Br2NO3
Molecular Weight391.06 g/mol
Exact Mass388.93
IUPAC Name3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cc(Br)ccc2Br)C1
InChIInChI=1S/C13H13Br2NO3/c14-9-3-4-10(15)11(6-9)16-12(17)7-1-2-8(5-7)13(18)19/h3-4,6-8H,1-2,5H2,(H,16,17)(H,18,19)
InChIKeySXGCSCVSKLXNTE-UHFFFAOYSA-N
XLogP3.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.06
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550857
3-[(4-bromo-2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788537
3-[(4-bromo-2-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81288944
3-[(5-bromo-2-propan-2-yloxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120549545
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55760620
trans-(1R,3R)-3-[(5-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401107
3-[(2,4,6-tribromophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788349
1-[(2,5-dibromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 61468314
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
3-(bicyclo[3.1.0]hexane-3-carbonylamino)-4-bromobenzoic acid
CID 114003825
3-amino-N-(2-bromo-5-fluorophenyl)cyclopentane-1-carboxamide
CID 103808505

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103550238) is 3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cc(Br)ccc2Br)C1.
What is the InChIKey of 3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is SXGCSCVSKLXNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO3/c14-9-3-4-10(15)11(6-9)16-12(17)7-1-2-8(5-7)13(18)19/h3-4,6-8H,1-2,5H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 391.06 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dibromophenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).