N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

C24H18N2O4 — CID 8884598

IUPACN-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(C(N)=O)cc3)cccc2c1=O
InChIInChI=1S/C24H18N2O4/c1-14-20(27)18-8-5-9-19(22(18)30-21(14)15-6-3-2-4-7-15)24(29)26-17-12-10-16(11-13-17)23(25)28/h2-13H,1H3,(H2,25,28)(H,26,29)
InChIKeyXRKFTMQWXLURTK-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.12
Rot. Bonds4

About N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide

N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (PubChem CID 8884598) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
PubChem CID8884598
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC NameN-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
SMILESCc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(C(N)=O)cc3)cccc2c1=O
InChIInChI=1S/C24H18N2O4/c1-14-20(27)18-8-5-9-19(22(18)30-21(14)15-6-3-2-4-7-15)24(29)26-17-12-10-16(11-13-17)23(25)28/h2-13H,1H3,(H2,25,28)(H,26,29)
InChIKeyXRKFTMQWXLURTK-UHFFFAOYSA-N
XLogP4.12
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 46553863
3-methyl-N-[4-(1,3-oxazol-5-yl)phenyl]-4-oxo-2-phenylchromene-8-carboxamide
CID 78890315
3-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 2456791
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8701875
3-methyl-4-oxo-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-2-phenylchromene-8-carboxamide
CID 55767692
N-[2-(4-bromoanilino)-2-oxoethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 55878876
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 42125425
N-tert-butyl-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 8779941
methyl 3-methyl-4-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]benzoate
CID 36930589
3-methyl-N-(3-methyl-2-pyridinyl)-4-oxo-2-phenylchromene-8-carboxamide
CID 42537286
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 52706882
N-[2-(difluoromethoxy)phenyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 26894946

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide (CID 8884598) is N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(C(N)=O)cc3)cccc2c1=O.
What is the InChIKey of N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
The InChIKey is XRKFTMQWXLURTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-14-20(27)18-8-5-9-19(22(18)30-21(14)15-6-3-2-4-7-15)24(29)26-17-12-10-16(11-13-17)23(25)28/h2-13H,1H3,(H2,25,28)(H,26,29).
What are the key properties of N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide?
N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-3-methyl-4-oxo-2-phenylchromene-8-carboxamide is sourced from PubChem (CID 8884598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).