N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide

C18H14ClNO5 — CID 6236971

IUPACN-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCc1c(CC(=O)Nc2ccccc2Cl)c(=O)oc2cc(O)cc(O)c12
InChIInChI=1S/C18H14ClNO5/c1-9-11(8-16(23)20-13-5-3-2-4-12(13)19)18(24)25-15-7-10(21)6-14(22)17(9)15/h2-7,21-22H,8H2,1H3,(H,20,23)
InChIKeyILEKUTHYOKVLHI-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.35
Rot. Bonds3

About N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide

N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 6236971) has the molecular formula C18H14ClNO5 and a molecular weight of 359.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID6236971
Molecular FormulaC18H14ClNO5
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC NameN-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCc1c(CC(=O)Nc2ccccc2Cl)c(=O)oc2cc(O)cc(O)c12
InChIInChI=1S/C18H14ClNO5/c1-9-11(8-16(23)20-13-5-3-2-4-12(13)19)18(24)25-15-7-10(21)6-14(22)17(9)15/h2-7,21-22H,8H2,1H3,(H,20,23)
InChIKeyILEKUTHYOKVLHI-UHFFFAOYSA-N
XLogP3.35
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6237529
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide
CID 6221957
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 6226446
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 6227079
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-methylpropyl)acetamide
CID 6221816
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
CID 40816600
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]acetamide
CID 40816601
N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4868793
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6225544
N-(2-fluorophenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4967951
N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6237267
2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 6226280

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 6236971) is N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide is Cc1c(CC(=O)Nc2ccccc2Cl)c(=O)oc2cc(O)cc(O)c12.
What is the InChIKey of N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is ILEKUTHYOKVLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5/c1-9-11(8-16(23)20-13-5-3-2-4-12(13)19)18(24)25-15-7-10(21)6-14(22)17(9)15/h2-7,21-22H,8H2,1H3,(H,20,23).
What are the key properties of N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide has a molecular weight of 359.77 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 6236971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).