2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid

C14H14ClNO3 — CID 107046386

IUPAC2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid
SMILESO=C(O)c1cccc(Cl)c1NC(=O)C1CC2CC2C1
InChIInChI=1S/C14H14ClNO3/c15-11-3-1-2-10(14(18)19)12(11)16-13(17)9-5-7-4-8(7)6-9/h1-3,7-9H,4-6H2,(H,16,17)(H,18,19)
InChIKeyWZZQUDRELVHQQL-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.02
Rot. Bonds3

About 2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid

2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid (PubChem CID 107046386) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid.

Molecular Properties

Compound Name2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid
PubChem CID107046386
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid
SMILESO=C(O)c1cccc(Cl)c1NC(=O)C1CC2CC2C1
InChIInChI=1S/C14H14ClNO3/c15-11-3-1-2-10(14(18)19)12(11)16-13(17)9-5-7-4-8(7)6-9/h1-3,7-9H,4-6H2,(H,16,17)(H,18,19)
InChIKeyWZZQUDRELVHQQL-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid?
The IUPAC name of 2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid (CID 107046386) is 2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid.
What is the SMILES notation for 2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid?
The canonical SMILES for 2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid is O=C(O)c1cccc(Cl)c1NC(=O)C1CC2CC2C1.
What is the InChIKey of 2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid?
The InChIKey is WZZQUDRELVHQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c15-11-3-1-2-10(14(18)19)12(11)16-13(17)9-5-7-4-8(7)6-9/h1-3,7-9H,4-6H2,(H,16,17)(H,18,19).
What are the key properties of 2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid?
2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid has a molecular weight of 279.72 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bicyclo[3.1.0]hexane-3-carbonylamino)-3-chlorobenzoic acid is sourced from PubChem (CID 107046386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).