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

C24H18ClNO4 — CID 23966257

IUPAC2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1Cl
InChIInChI=1S/C24H18ClNO4/c1-15-12-19(10-11-21(15)25)29-14-23(27)26-18-8-6-16(7-9-18)20-13-17-4-2-3-5-22(17)30-24(20)28/h2-13H,14H2,1H3,(H,26,27)
InChIKeyTTWLAIOYWPBPRL-UHFFFAOYSA-N
MW419.86 g/mol
LogP5.44
Rot. Bonds5

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

2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide (PubChem CID 23966257) has the molecular formula C24H18ClNO4 and a molecular weight of 419.86 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide
PubChem CID23966257
Molecular FormulaC24H18ClNO4
Molecular Weight419.86 g/mol
Exact Mass419.09
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1Cl
InChIInChI=1S/C24H18ClNO4/c1-15-12-19(10-11-21(15)25)29-14-23(27)26-18-8-6-16(7-9-18)20-13-17-4-2-3-5-22(17)30-24(20)28/h2-13H,14H2,1H3,(H,26,27)
InChIKeyTTWLAIOYWPBPRL-UHFFFAOYSA-N
XLogP5.44
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.86
LogP ≤ 55.44
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-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide
CID 4212244
N-[4-(2-oxochromen-3-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1257824
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3576471
2-(4-chloro-3-methylphenoxy)-N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]acetamide
CID 9316740
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide
CID 51808629
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 1221790
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-2-naphthalen-1-yloxyacetamide
CID 3635368
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 1364375
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide (CID 23966257) is 2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide is Cc1cc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide?
The InChIKey is TTWLAIOYWPBPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO4/c1-15-12-19(10-11-21(15)25)29-14-23(27)26-18-8-6-16(7-9-18)20-13-17-4-2-3-5-22(17)30-24(20)28/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[4-(2-oxochromen-3-yl)phenyl]acetamide has a molecular weight of 419.86 g/mol, XLogP of 5.44, 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-[4-(2-oxochromen-3-yl)phenyl]acetamide is sourced from PubChem (CID 23966257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).