2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide

C16H14ClNO3 — CID 885767

IUPAC2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1
InChIInChI=1S/C16H14ClNO3/c1-10-2-4-12(13(17)8-10)16(19)18-11-3-5-14-15(9-11)21-7-6-20-14/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyUKZFUQTWSLKHHF-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.67
Rot. Bonds2

About 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide (PubChem CID 885767) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
PubChem CID885767
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1
InChIInChI=1S/C16H14ClNO3/c1-10-2-4-12(13(17)8-10)16(19)18-11-3-5-14-15(9-11)21-7-6-20-14/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyUKZFUQTWSLKHHF-UHFFFAOYSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732530
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl acetate
CID 3155160
2-Chloro-M-benzanisidide
CID 687085
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorobenzamide
CID 675323
N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 730782
4-Chloro-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)benzamide
CID 732523
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732524
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide
CID 732529
2,3-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 775158

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide (CID 885767) is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide?
The InChIKey is UKZFUQTWSLKHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-10-2-4-12(13(17)8-10)16(19)18-11-3-5-14-15(9-11)21-7-6-20-14/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide?
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide has a molecular weight of 303.75 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylbenzamide is sourced from PubChem (CID 885767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).