5-bromo-2-(cycloheptanecarbonylamino)benzoic acid

C15H18BrNO3 — CID 63405295

IUPAC5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NC(=O)C1CCCCCC1
InChIInChI=1S/C15H18BrNO3/c16-11-7-8-13(12(9-11)15(19)20)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,17,18)(H,19,20)
InChIKeyYVSTTZVZQZWUKY-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.06
Rot. Bonds3

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

5-bromo-2-(cycloheptanecarbonylamino)benzoic acid (PubChem CID 63405295) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is 5-bromo-2-(cycloheptanecarbonylamino)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
PubChem CID63405295
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name5-bromo-2-(cycloheptanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(Br)ccc1NC(=O)C1CCCCCC1
InChIInChI=1S/C15H18BrNO3/c16-11-7-8-13(12(9-11)15(19)20)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,17,18)(H,19,20)
InChIKeyYVSTTZVZQZWUKY-UHFFFAOYSA-N
XLogP4.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(cycloheptanecarbonylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(cyclopentanecarbonylamino)benzoic acid
CID 45434105
N-(4-bromo-2-carbamothioylphenyl)cyclooctanecarboxamide
CID 82695033
2-[(3-aminocyclohexanecarbonyl)amino]-5-bromobenzoic acid
CID 63046627
5-bromo-2-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 81141287
5-amino-2-(cycloheptanecarbonylamino)benzoic acid
CID 63116326
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
5-bromo-2-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83191690
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
2-(cyclopentanecarbonylamino)-5-nitrobenzoic acid
CID 16771086
3-bromo-4-(cyclooctanecarbonylamino)benzoic acid
CID 65019429
3,5-dibromo-2-(cycloheptanecarbonylamino)benzoic acid
CID 63405452

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cycloheptanecarbonylamino)benzoic acid?
The IUPAC name of 5-bromo-2-(cycloheptanecarbonylamino)benzoic acid (CID 63405295) is 5-bromo-2-(cycloheptanecarbonylamino)benzoic acid.
What is the SMILES notation for 5-bromo-2-(cycloheptanecarbonylamino)benzoic acid?
The canonical SMILES for 5-bromo-2-(cycloheptanecarbonylamino)benzoic acid is O=C(O)c1cc(Br)ccc1NC(=O)C1CCCCCC1.
What is the InChIKey of 5-bromo-2-(cycloheptanecarbonylamino)benzoic acid?
The InChIKey is YVSTTZVZQZWUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c16-11-7-8-13(12(9-11)15(19)20)17-14(18)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H,17,18)(H,19,20).
What are the key properties of 5-bromo-2-(cycloheptanecarbonylamino)benzoic acid?
5-bromo-2-(cycloheptanecarbonylamino)benzoic acid has a molecular weight of 340.22 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cycloheptanecarbonylamino)benzoic acid is sourced from PubChem (CID 63405295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).