N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide

C19H16ClNO5 — CID 6237267

IUPACN-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)c(Cl)c1
InChIInChI=1S/C19H16ClNO5/c1-9-3-5-14(13(20)7-9)21-16(23)8-12-10(2)11-4-6-15(22)17(24)18(11)26-19(12)25/h3-7,22,24H,8H2,1-2H3,(H,21,23)
InChIKeyUERWQQHLMLUCDE-UHFFFAOYSA-N
MW373.79 g/mol
LogP3.66
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide

N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 6237267) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID6237267
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)c(Cl)c1
InChIInChI=1S/C19H16ClNO5/c1-9-3-5-14(13(20)7-9)21-16(23)8-12-10(2)11-4-6-15(22)17(24)18(11)26-19(12)25/h3-7,22,24H,8H2,1-2H3,(H,21,23)
InChIKeyUERWQQHLMLUCDE-UHFFFAOYSA-N
XLogP3.66
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6237690
2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 6237197
2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetic acid
CID 5498524
2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 6229318
2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40816265
2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 6237344
N-(2-chloro-4-methylphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 8885866
N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236971
N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4871526
(2S)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]butanoic acid
CID 5417157
3-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)-7,8-dihydroxy-4-methylchromen-2-one
CID 57388516
3-benzyl-7,8-dihydroxy-4-methylchromen-2-one
CID 5428528

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 6237267) is N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide is Cc1ccc(NC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is UERWQQHLMLUCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5/c1-9-3-5-14(13(20)7-9)21-16(23)8-12-10(2)11-4-6-15(22)17(24)18(11)26-19(12)25/h3-7,22,24H,8H2,1-2H3,(H,21,23).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide has a molecular weight of 373.79 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(7,8-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 6237267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).