5-chloro-2-(cyclobutanecarbonylamino)benzoic acid

C12H12ClNO3 — CID 16775751

IUPAC5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC(=O)C1CCC1
InChIInChI=1S/C12H12ClNO3/c13-8-4-5-10(9(6-8)12(16)17)14-11(15)7-2-1-3-7/h4-7H,1-3H2,(H,14,15)(H,16,17)
InChIKeyVEEHBBMRKMLHFM-UHFFFAOYSA-N
MW253.68 g/mol
LogP2.78
Rot. Bonds3

About 5-chloro-2-(cyclobutanecarbonylamino)benzoic acid

5-chloro-2-(cyclobutanecarbonylamino)benzoic acid (PubChem CID 16775751) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutanecarbonylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
PubChem CID16775751
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(Cl)ccc1NC(=O)C1CCC1
InChIInChI=1S/C12H12ClNO3/c13-8-4-5-10(9(6-8)12(16)17)14-11(15)7-2-1-3-7/h4-7H,1-3H2,(H,14,15)(H,16,17)
InChIKeyVEEHBBMRKMLHFM-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutanecarbonylamino)benzoic acid?
The IUPAC name of 5-chloro-2-(cyclobutanecarbonylamino)benzoic acid (CID 16775751) is 5-chloro-2-(cyclobutanecarbonylamino)benzoic acid.
What is the SMILES notation for 5-chloro-2-(cyclobutanecarbonylamino)benzoic acid?
The canonical SMILES for 5-chloro-2-(cyclobutanecarbonylamino)benzoic acid is O=C(O)c1cc(Cl)ccc1NC(=O)C1CCC1.
What is the InChIKey of 5-chloro-2-(cyclobutanecarbonylamino)benzoic acid?
The InChIKey is VEEHBBMRKMLHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c13-8-4-5-10(9(6-8)12(16)17)14-11(15)7-2-1-3-7/h4-7H,1-3H2,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-2-(cyclobutanecarbonylamino)benzoic acid?
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid has a molecular weight of 253.68 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutanecarbonylamino)benzoic acid is sourced from PubChem (CID 16775751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).