N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide

C24H15ClF3NO3 — CID 108803042

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)cc3)cc(=O)c2c1
InChIInChI=1S/C24H15ClF3NO3/c1-13-2-9-21-17(10-13)20(30)12-22(32-21)14-3-5-15(6-4-14)23(31)29-19-11-16(24(26,27)28)7-8-18(19)25/h2-12H,1H3,(H,29,31)
InChIKeyLMRYPHCJIGTQTI-UHFFFAOYSA-N
MW457.84 g/mol
LogP6.69
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108803042) has the molecular formula C24H15ClF3NO3 and a molecular weight of 457.84 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108803042
Molecular FormulaC24H15ClF3NO3
Molecular Weight457.84 g/mol
Exact Mass457.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)cc3)cc(=O)c2c1
InChIInChI=1S/C24H15ClF3NO3/c1-13-2-9-21-17(10-13)20(30)12-22(32-21)14-3-5-15(6-4-14)23(31)29-19-11-16(24(26,27)28)7-8-18(19)25/h2-12H,1H3,(H,29,31)
InChIKeyLMRYPHCJIGTQTI-UHFFFAOYSA-N
XLogP6.69
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790173
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 108803013
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-(2,4-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
6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 35181492
N-[(2-chlorophenyl)methyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790197
4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide
CID 108790350
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108803042) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)cc3)cc(=O)c2c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is LMRYPHCJIGTQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF3NO3/c1-13-2-9-21-17(10-13)20(30)12-22(32-21)14-3-5-15(6-4-14)23(31)29-19-11-16(24(26,27)28)7-8-18(19)25/h2-12H,1H3,(H,29,31).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 457.84 g/mol, XLogP of 6.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108803042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).