2-chloro-5-(cyclooctanecarbonylamino)benzoic acid

C16H20ClNO3 — CID 65019289

IUPAC2-chloro-5-(cyclooctanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)C2CCCCCCC2)ccc1Cl
InChIInChI=1S/C16H20ClNO3/c17-14-9-8-12(10-13(14)16(20)21)18-15(19)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,18,19)(H,20,21)
InChIKeyGQCWYBWZGVUNJM-UHFFFAOYSA-N
MW309.79 g/mol
LogP4.34
Rot. Bonds3

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

2-chloro-5-(cyclooctanecarbonylamino)benzoic acid (PubChem CID 65019289) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-chloro-5-(cyclooctanecarbonylamino)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(cyclooctanecarbonylamino)benzoic acid
PubChem CID65019289
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-chloro-5-(cyclooctanecarbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)C2CCCCCCC2)ccc1Cl
InChIInChI=1S/C16H20ClNO3/c17-14-9-8-12(10-13(14)16(20)21)18-15(19)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,18,19)(H,20,21)
InChIKeyGQCWYBWZGVUNJM-UHFFFAOYSA-N
XLogP4.34
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-bromo-5-(cyclobutanecarbonylamino)benzoic acid
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2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
5-[[(1R,2S)-2-carboxycyclopropanecarbonyl]amino]-2-chlorobenzoic acid
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2-chloro-5-[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(cyclooctanecarbonylamino)benzoic acid?
The IUPAC name of 2-chloro-5-(cyclooctanecarbonylamino)benzoic acid (CID 65019289) is 2-chloro-5-(cyclooctanecarbonylamino)benzoic acid.
What is the SMILES notation for 2-chloro-5-(cyclooctanecarbonylamino)benzoic acid?
The canonical SMILES for 2-chloro-5-(cyclooctanecarbonylamino)benzoic acid is O=C(O)c1cc(NC(=O)C2CCCCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(cyclooctanecarbonylamino)benzoic acid?
The InChIKey is GQCWYBWZGVUNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-14-9-8-12(10-13(14)16(20)21)18-15(19)11-6-4-2-1-3-5-7-11/h8-11H,1-7H2,(H,18,19)(H,20,21).
What are the key properties of 2-chloro-5-(cyclooctanecarbonylamino)benzoic acid?
2-chloro-5-(cyclooctanecarbonylamino)benzoic acid has a molecular weight of 309.79 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(cyclooctanecarbonylamino)benzoic acid is sourced from PubChem (CID 65019289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).