2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide

C24H17Cl2NO4 — CID 4212244

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)ccc1Cl
InChIInChI=1S/C24H17Cl2NO4/c1-14-10-17(7-9-20(14)25)30-13-23(28)27-16-6-8-18(21(26)12-16)19-11-15-4-2-3-5-22(15)31-24(19)29/h2-12H,13H2,1H3,(H,27,28)
InChIKeyBVABTOVVJFTNMX-UHFFFAOYSA-N
MW454.31 g/mol
LogP6.09
Rot. Bonds5

About 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide (PubChem CID 4212244) has the molecular formula C24H17Cl2NO4 and a molecular weight of 454.31 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide
PubChem CID4212244
Molecular FormulaC24H17Cl2NO4
Molecular Weight454.31 g/mol
Exact Mass453.05
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)ccc1Cl
InChIInChI=1S/C24H17Cl2NO4/c1-14-10-17(7-9-20(14)25)30-13-23(28)27-16-6-8-18(21(26)12-16)19-11-15-4-2-3-5-22(15)31-24(19)29/h2-12H,13H2,1H3,(H,27,28)
InChIKeyBVABTOVVJFTNMX-UHFFFAOYSA-N
XLogP6.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.31
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide
CID 23966257
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 3635368
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3576471
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]acetamide
CID 9316740
N-[4-(2-oxochromen-3-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1257824
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 3440474
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
2-(4-chloro-3-methylphenoxy)-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)acetamide
CID 100531271
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide (CID 4212244) is 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide?
The InChIKey is BVABTOVVJFTNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO4/c1-14-10-17(7-9-20(14)25)30-13-23(28)27-16-6-8-18(21(26)12-16)19-11-15-4-2-3-5-22(15)31-24(19)29/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide has a molecular weight of 454.31 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide is sourced from PubChem (CID 4212244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).