4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide

C23H14F3NO3 — CID 108803013

IUPAC4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4ccc(F)c(F)c4F)cc3)cc(=O)c2c1
InChIInChI=1S/C23H14F3NO3/c1-12-2-9-19-15(10-12)18(28)11-20(30-19)13-3-5-14(6-4-13)23(29)27-17-8-7-16(24)21(25)22(17)26/h2-11H,1H3,(H,27,29)
InChIKeyJNDJRWBSYFAJRF-UHFFFAOYSA-N
MW409.36 g/mol
LogP5.44
Rot. Bonds3

About 4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide

4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 108803013) has the molecular formula C23H14F3NO3 and a molecular weight of 409.36 g/mol. Its IUPAC name is 4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID108803013
Molecular FormulaC23H14F3NO3
Molecular Weight409.36 g/mol
Exact Mass409.09
IUPAC Name4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4ccc(F)c(F)c4F)cc3)cc(=O)c2c1
InChIInChI=1S/C23H14F3NO3/c1-12-2-9-19-15(10-12)18(28)11-20(30-19)13-3-5-14(6-4-13)23(29)27-17-8-7-16(24)21(25)22(17)26/h2-11H,1H3,(H,27,29)
InChIKeyJNDJRWBSYFAJRF-UHFFFAOYSA-N
XLogP5.44
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.36
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803042
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-(3-chloro-2-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790173
4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790358
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide
CID 108790350

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide (CID 108803013) is 4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)Nc4ccc(F)c(F)c4F)cc3)cc(=O)c2c1.
What is the InChIKey of 4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is JNDJRWBSYFAJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO3/c1-12-2-9-19-15(10-12)18(28)11-20(30-19)13-3-5-14(6-4-13)23(29)27-17-8-7-16(24)21(25)22(17)26/h2-11H,1H3,(H,27,29).
What are the key properties of 4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide?
4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 409.36 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 108803013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).