N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide

C25H20ClNO4 — CID 1300109

IUPACN-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NCc2ccc(Cl)cc2)c2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C25H20ClNO4/c1-16-11-21(30-15-23(28)27-14-17-7-9-19(26)10-8-17)25-20(18-5-3-2-4-6-18)13-24(29)31-22(25)12-16/h2-13H,14-15H2,1H3,(H,27,28)
InChIKeyQVUZRJXCWJCPOV-UHFFFAOYSA-N
MW433.89 g/mol
LogP5.12
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide

N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide (PubChem CID 1300109) has the molecular formula C25H20ClNO4 and a molecular weight of 433.89 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
PubChem CID1300109
Molecular FormulaC25H20ClNO4
Molecular Weight433.89 g/mol
Exact Mass433.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NCc2ccc(Cl)cc2)c2c(-c3ccccc3)cc(=O)oc2c1
InChIInChI=1S/C25H20ClNO4/c1-16-11-21(30-15-23(28)27-14-17-7-9-19(26)10-8-17)25-20(18-5-3-2-4-6-18)13-24(29)31-22(25)12-16/h2-13H,14-15H2,1H3,(H,27,28)
InChIKeyQVUZRJXCWJCPOV-UHFFFAOYSA-N
XLogP5.12
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.89
LogP ≤ 55.12
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

5-(2-chloroprop-2-enoxy)-7-methyl-4-phenylchromen-2-one
CID 807140
N-(4-bromo-2-fluorophenyl)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide
CID 2351690
propan-2-yl 2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetate
CID 2888651
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4911631
N-[(4-chlorophenyl)methyl]-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7686438
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
CID 4910456
5-[(2-chloro-4-fluorophenyl)methoxy]-7-methyl-4-phenylchromen-2-one
CID 23823945
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3724496
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2-phenylpropyl)acetamide
CID 4909677
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325275
ethyl (2S)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxypropanoate
CID 982342
methyl (2R)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxy-2-phenylacetate
CID 1304742

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide (CID 1300109) is N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide is Cc1cc(OCC(=O)NCc2ccc(Cl)cc2)c2c(-c3ccccc3)cc(=O)oc2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide?
The InChIKey is QVUZRJXCWJCPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO4/c1-16-11-21(30-15-23(28)27-14-17-7-9-19(26)10-8-17)25-20(18-5-3-2-4-6-18)13-24(29)31-22(25)12-16/h2-13H,14-15H2,1H3,(H,27,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide?
N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide has a molecular weight of 433.89 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxyacetamide is sourced from PubChem (CID 1300109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).