(7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate

C17H13Cl2NO5 — CID 24557812

IUPAC(7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCc1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C17H13Cl2NO5/c18-12-3-1-11(2-4-12)17(22)20-7-15(21)23-8-10-5-13(19)16-14(6-10)24-9-25-16/h1-6H,7-9H2,(H,20,22)
InChIKeyNNFUASYIZOAZPH-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.20
Rot. Bonds5

About (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate

(7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 24557812) has the molecular formula C17H13Cl2NO5 and a molecular weight of 382.20 g/mol. Its IUPAC name is (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name(7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID24557812
Molecular FormulaC17H13Cl2NO5
Molecular Weight382.20 g/mol
Exact Mass381.02
IUPAC Name(7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1)OCc1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C17H13Cl2NO5/c18-12-3-1-11(2-4-12)17(22)20-7-15(21)23-8-10-5-13(19)16-14(6-10)24-9-25-16/h1-6H,7-9H2,(H,20,22)
InChIKeyNNFUASYIZOAZPH-UHFFFAOYSA-N
XLogP3.20
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7-chloro-1,3-benzodioxol-5-yl)methyl 2-(4-propanoylphenoxy)acetate
CID 7603501
(7-chloro-1,3-benzodioxol-5-yl)methyl 2-naphthalen-1-ylacetate
CID 18267753
[2-(4-chloroanilino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883658
(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7878480
(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879494
methyl 4-[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]oxymethyl]benzoate
CID 7883473
methyl 4-[(E)-3-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]-3-oxoprop-1-enyl]benzoate
CID 8857479
N-[(4-carbamoylphenyl)methyl]-7-chloro-1,3-benzodioxole-5-carboxamide
CID 46601534
(7-chloro-1,3-benzodioxol-5-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 24557972
(2,4-dichlorophenyl)methyl 2-[(4-acetamidobenzoyl)amino]acetate
CID 1218600
N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-4-chlorobenzamide
CID 18159580
(7-chloro-1,3-benzodioxol-5-yl)methyl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate
CID 55543141

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate (CID 24557812) is (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1)OCc1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is NNFUASYIZOAZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO5/c18-12-3-1-11(2-4-12)17(22)20-7-15(21)23-8-10-5-13(19)16-14(6-10)24-9-25-16/h1-6H,7-9H2,(H,20,22).
What are the key properties of (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate?
(7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 382.20 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzodioxol-5-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 24557812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).