2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide

C19H16ClNO4 — CID 40617668

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc(C)c1Cl
InChIInChI=1S/C19H16ClNO4/c1-11-7-15(8-12(2)19(11)20)24-10-17(22)21-14-4-5-16-13(9-14)3-6-18(23)25-16/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyGYKBQYAKHAWOGQ-UHFFFAOYSA-N
MW357.79 g/mol
LogP4.08
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide (PubChem CID 40617668) has the molecular formula C19H16ClNO4 and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide
PubChem CID40617668
Molecular FormulaC19H16ClNO4
Molecular Weight357.79 g/mol
Exact Mass357.08
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc(C)c1Cl
InChIInChI=1S/C19H16ClNO4/c1-11-7-15(8-12(2)19(11)20)24-10-17(22)21-14-4-5-16-13(9-14)3-6-18(23)25-16/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeyGYKBQYAKHAWOGQ-UHFFFAOYSA-N
XLogP4.08
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 54.08
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-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3382026
2-(2-methoxyethoxy)-N-(2-oxochromen-6-yl)acetamide
CID 60580990
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
N-(3-acetamido-4-methylphenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 54777100
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 23741815
(2-oxochromen-6-yl)carbamic acid
CID 18427920
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
CID 17296544
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
N-[4-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]phenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 17092069
N-(3-chloro-4-cyanophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 7564291
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)acetamide
CID 3525566

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide (CID 40617668) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide is Cc1cc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
The InChIKey is GYKBQYAKHAWOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4/c1-11-7-15(8-12(2)19(11)20)24-10-17(22)21-14-4-5-16-13(9-14)3-6-18(23)25-16/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide has a molecular weight of 357.79 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-oxochromen-6-yl)acetamide is sourced from PubChem (CID 40617668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).