4-chloro-2-(propanoylamino)benzoic acid

C10H10ClNO3 — CID 1331752

IUPAC4-chloro-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-2-9(13)12-8-5-6(11)3-4-7(8)10(14)15/h3-5H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyWROIVUCRBDYZPW-UHFFFAOYSA-N
MW227.65 g/mol
LogP2.39
Rot. Bonds3

About 4-chloro-2-(propanoylamino)benzoic acid

4-chloro-2-(propanoylamino)benzoic acid (PubChem CID 1331752) has the molecular formula C10H10ClNO3 and a molecular weight of 227.65 g/mol. Its IUPAC name is 4-chloro-2-(propanoylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(propanoylamino)benzoic acid
PubChem CID1331752
Molecular FormulaC10H10ClNO3
Molecular Weight227.65 g/mol
Exact Mass227.03
IUPAC Name4-chloro-2-(propanoylamino)benzoic acid
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C10H10ClNO3/c1-2-9(13)12-8-5-6(11)3-4-7(8)10(14)15/h3-5H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyWROIVUCRBDYZPW-UHFFFAOYSA-N
XLogP2.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(propanoylamino)benzoic acid?
The IUPAC name of 4-chloro-2-(propanoylamino)benzoic acid (CID 1331752) is 4-chloro-2-(propanoylamino)benzoic acid.
What is the SMILES notation for 4-chloro-2-(propanoylamino)benzoic acid?
The canonical SMILES for 4-chloro-2-(propanoylamino)benzoic acid is CCC(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(propanoylamino)benzoic acid?
The InChIKey is WROIVUCRBDYZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3/c1-2-9(13)12-8-5-6(11)3-4-7(8)10(14)15/h3-5H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-chloro-2-(propanoylamino)benzoic acid?
4-chloro-2-(propanoylamino)benzoic acid has a molecular weight of 227.65 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(propanoylamino)benzoic acid is sourced from PubChem (CID 1331752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).