N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide

C18H15NO3 — CID 3536636

IUPACN-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C18H15NO3/c1-11-7-12(2)9-13(8-11)19-18(21)17-10-15(20)14-5-3-4-6-16(14)22-17/h3-10H,1-2H3,(H,19,21)
InChIKeyJDAPZGDEAHHVJE-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.66
Rot. Bonds2

About N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide

N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide (PubChem CID 3536636) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
PubChem CID3536636
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC NameN-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C18H15NO3/c1-11-7-12(2)9-13(8-11)19-18(21)17-10-15(20)14-5-3-4-6-16(14)22-17/h3-10H,1-2H3,(H,19,21)
InChIKeyJDAPZGDEAHHVJE-UHFFFAOYSA-N
XLogP3.66
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide 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-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
CID 22105775
N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
CID 2474419
N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114
N-[4-(tert-butylcarbamoyl)phenyl]-4-oxochromene-2-carboxamide
CID 38253448
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide
CID 17460362
4-methyl-3-[(4-oxochromene-2-carbonyl)amino]benzoic acid
CID 3400786
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide
CID 41356371
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-oxochromene-2-carboxamide
CID 25443449
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-4-oxochromene-2-carboxamide
CID 32938140

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide (CID 3536636) is N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide is Cc1cc(C)cc(NC(=O)c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide?
The InChIKey is JDAPZGDEAHHVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-7-12(2)9-13(8-11)19-18(21)17-10-15(20)14-5-3-4-6-16(14)22-17/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide?
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 3536636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).