2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide

C19H19ClN2O3 — CID 24817925

IUPAC2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1
InChIInChI=1S/C19H19ClN2O3/c1-12-6-9-15(20)17(10-12)25-11-18(23)22-16-5-3-2-4-14(16)19(24)21-13-7-8-13/h2-6,9-10,13H,7-8,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyXBMVJSLYLRFZEL-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.56
Rot. Bonds6

About 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide

2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide (PubChem CID 24817925) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide
PubChem CID24817925
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide
SMILESCc1ccc(Cl)c(OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1
InChIInChI=1S/C19H19ClN2O3/c1-12-6-9-15(20)17(10-12)25-11-18(23)22-16-5-3-2-4-14(16)19(24)21-13-7-8-13/h2-6,9-10,13H,7-8,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyXBMVJSLYLRFZEL-UHFFFAOYSA-N
XLogP3.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide (CID 24817925) is 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide is Cc1ccc(Cl)c(OCC(=O)Nc2ccccc2C(=O)NC2CC2)c1.
What is the InChIKey of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide?
The InChIKey is XBMVJSLYLRFZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-12-6-9-15(20)17(10-12)25-11-18(23)22-16-5-3-2-4-14(16)19(24)21-13-7-8-13/h2-6,9-10,13H,7-8,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide?
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide has a molecular weight of 358.83 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 24817925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).