5-bromo-2-(cyclopentanecarbonylamino)benzoic acid

C13H14BrNO3 — CID 45434105

IUPAC5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NC(=O)C1CCCC1
InChIInChI=1S/C13H14BrNO3/c14-9-5-6-11(10(7-9)13(17)18)15-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16)(H,17,18)
InChIKeyVNYKMAHBAVRPRT-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.28
Rot. Bonds3

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

5-bromo-2-(cyclopentanecarbonylamino)benzoic acid (PubChem CID 45434105) has the molecular formula C13H14BrNO3 and a molecular weight of 312.16 g/mol. Its IUPAC name is 5-bromo-2-(cyclopentanecarbonylamino)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
PubChem CID45434105
Molecular FormulaC13H14BrNO3
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NC(=O)C1CCCC1
InChIInChI=1S/C13H14BrNO3/c14-9-5-6-11(10(7-9)13(17)18)15-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16)(H,17,18)
InChIKeyVNYKMAHBAVRPRT-UHFFFAOYSA-N
XLogP3.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63405295
2-[(3-aminocyclohexanecarbonyl)amino]-5-bromobenzoic acid
CID 63046627
5-bromo-2-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 81141287
N-(4-bromo-2-carbamothioylphenyl)cyclooctanecarboxamide
CID 82695033
5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
5-bromo-2-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83191690
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
5-bromo-2-[(2-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 62074188
5-bromo-2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid
CID 17018719
N-(5-bromo-2-carbamothioylphenyl)cyclopentanecarboxamide
CID 114002608

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclopentanecarbonylamino)benzoic acid?
The IUPAC name of 5-bromo-2-(cyclopentanecarbonylamino)benzoic acid (CID 45434105) is 5-bromo-2-(cyclopentanecarbonylamino)benzoic acid.
What is the SMILES notation for 5-bromo-2-(cyclopentanecarbonylamino)benzoic acid?
The canonical SMILES for 5-bromo-2-(cyclopentanecarbonylamino)benzoic acid is O=C(O)c1cc(Br)ccc1NC(=O)C1CCCC1.
What is the InChIKey of 5-bromo-2-(cyclopentanecarbonylamino)benzoic acid?
The InChIKey is VNYKMAHBAVRPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO3/c14-9-5-6-11(10(7-9)13(17)18)15-12(16)8-3-1-2-4-8/h5-8H,1-4H2,(H,15,16)(H,17,18).
What are the key properties of 5-bromo-2-(cyclopentanecarbonylamino)benzoic acid?
5-bromo-2-(cyclopentanecarbonylamino)benzoic acid has a molecular weight of 312.16 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclopentanecarbonylamino)benzoic acid is sourced from PubChem (CID 45434105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).