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

C19H16ClNO5 — CID 6237529

IUPACN-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O
InChIInChI=1S/C19H16ClNO5/c1-9-12(8-17(24)21-14-5-3-4-13(20)10(14)2)19(25)26-16-7-11(22)6-15(23)18(9)16/h3-7,22-23H,8H2,1-2H3,(H,21,24)
InChIKeyKAXDMUYUGNOYSY-UHFFFAOYSA-N
MW373.79 g/mol
LogP3.66
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 6237529) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID6237529
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O
InChIInChI=1S/C19H16ClNO5/c1-9-12(8-17(24)21-14-5-3-4-13(20)10(14)2)19(25)26-16-7-11(22)6-15(23)18(9)16/h3-7,22-23H,8H2,1-2H3,(H,21,24)
InChIKeyKAXDMUYUGNOYSY-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': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236971
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-(1-phenylethyl)acetamide
CID 6221957
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 6226446
N-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]acetamide
CID 40816601
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6225544
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(2-methylphenyl)-2-(3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl)acetamide
CID 4868793
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536642
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100746423
N-(3-chloro-2-methylphenyl)-2-(furan-2-yl)acetamide
CID 110690693

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 6237529) is N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide is Cc1c(Cl)cccc1NC(=O)Cc1c(C)c2c(O)cc(O)cc2oc1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is KAXDMUYUGNOYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5/c1-9-12(8-17(24)21-14-5-3-4-13(20)10(14)2)19(25)26-16-7-11(22)6-15(23)18(9)16/h3-7,22-23H,8H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(5,7-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-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 6237529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).