N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide

C18H14ClNO3 — CID 19119023

IUPACN-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(=O)c2cccc(C)c2o1
InChIInChI=1S/C18H14ClNO3/c1-10-5-3-6-12-15(21)9-16(23-17(10)12)18(22)20-14-8-4-7-13(19)11(14)2/h3-9H,1-2H3,(H,20,22)
InChIKeyWQYIEQCOSQOVGH-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.32
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide

N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide (PubChem CID 19119023) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide
PubChem CID19119023
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC NameN-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(=O)c2cccc(C)c2o1
InChIInChI=1S/C18H14ClNO3/c1-10-5-3-6-12-15(21)9-16(23-17(10)12)18(22)20-14-8-4-7-13(19)11(14)2/h3-9H,1-2H3,(H,20,22)
InChIKeyWQYIEQCOSQOVGH-UHFFFAOYSA-N
XLogP4.32
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119011
N-(4-bromophenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19118994
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 19119114
N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869079
8-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromene-2-carboxamide
CID 19119008
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-8-methyl-4-oxochromene-2-carboxamide
CID 19119177
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 82344269
7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
N-(3-chloro-2-methylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 29203485
ethyl 2-[2-[4-[(8-chloro-4-oxochromene-2-carbonyl)amino]-3-methylphenoxy]ethoxy]acetate
CID 146487056

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide (CID 19119023) is N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(=O)c2cccc(C)c2o1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide?
The InChIKey is WQYIEQCOSQOVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-10-5-3-6-12-15(21)9-16(23-17(10)12)18(22)20-14-8-4-7-13(19)11(14)2/h3-9H,1-2H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide?
N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 19119023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).