N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide

C27H24ClF2NO3 — CID 146841030

IUPACN-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide
SMILESCC(=O)C(F)(F)c1ccc(CC(=O)Cc2ccc(C(=O)N(C)c3ccc(C)cc3Cl)cc2)cc1
InChIInChI=1S/C27H24ClF2NO3/c1-17-4-13-25(24(28)14-17)31(3)26(34)21-9-5-19(6-10-21)15-23(33)16-20-7-11-22(12-8-20)27(29,30)18(2)32/h4-14H,15-16H2,1-3H3
InChIKeySGDHWJJCLQDCRA-UHFFFAOYSA-N
MW483.94 g/mol
LogP5.96
Rot. Bonds8

About N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide

N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide (PubChem CID 146841030) has the molecular formula C27H24ClF2NO3 and a molecular weight of 483.94 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide
PubChem CID146841030
Molecular FormulaC27H24ClF2NO3
Molecular Weight483.94 g/mol
Exact Mass483.14
IUPAC NameN-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide
SMILESCC(=O)C(F)(F)c1ccc(CC(=O)Cc2ccc(C(=O)N(C)c3ccc(C)cc3Cl)cc2)cc1
InChIInChI=1S/C27H24ClF2NO3/c1-17-4-13-25(24(28)14-17)31(3)26(34)21-9-5-19(6-10-21)15-23(33)16-20-7-11-22(12-8-20)27(29,30)18(2)32/h4-14H,15-16H2,1-3H3
InChIKeySGDHWJJCLQDCRA-UHFFFAOYSA-N
XLogP5.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.94
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide (CID 146841030) is N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide is CC(=O)C(F)(F)c1ccc(CC(=O)Cc2ccc(C(=O)N(C)c3ccc(C)cc3Cl)cc2)cc1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide?
The InChIKey is SGDHWJJCLQDCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF2NO3/c1-17-4-13-25(24(28)14-17)31(3)26(34)21-9-5-19(6-10-21)15-23(33)16-20-7-11-22(12-8-20)27(29,30)18(2)32/h4-14H,15-16H2,1-3H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide?
N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide has a molecular weight of 483.94 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-[3-[4-(1,1-difluoro-2-oxopropyl)phenyl]-2-oxopropyl]-N-methylbenzamide is sourced from PubChem (CID 146841030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).