N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide

C27H24Cl2F5NO — CID 88930033

IUPACN-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)c1ccc(CN(CCc2ccc(F)c(Cl)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1
InChIInChI=1S/C27H24Cl2F5NO/c1-26(2,3)18-7-4-17(5-8-18)15-35(11-10-16-6-9-23(30)21(28)12-16)25(36)20-13-19(27(32,33)34)14-22(29)24(20)31/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeySYNNINNESZGGKG-UHFFFAOYSA-N
MW544.39 g/mol
LogP8.47
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide

N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 88930033) has the molecular formula C27H24Cl2F5NO and a molecular weight of 544.39 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID88930033
Molecular FormulaC27H24Cl2F5NO
Molecular Weight544.39 g/mol
Exact Mass543.12
IUPAC NameN-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)c1ccc(CN(CCc2ccc(F)c(Cl)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1
InChIInChI=1S/C27H24Cl2F5NO/c1-26(2,3)18-7-4-17(5-8-18)15-35(11-10-16-6-9-23(30)21(28)12-16)25(36)20-13-19(27(32,33)34)14-22(29)24(20)31/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeySYNNINNESZGGKG-UHFFFAOYSA-N
XLogP8.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.39
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide 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-tert-butylphenyl)methyl]-3-chloro-N-[2-(2-chloro-4-pyridinyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 24737788
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[3-(3-chlorophenyl)propyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 88930081
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 88930092
3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide
CID 88930016
N-[(4-tert-butylphenyl)methyl]-2-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide
CID 88930093
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-1H-indole-7-carboxamide
CID 86603089
N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-2-fluoropyridine-3-carboxamide
CID 24738252
N-[(4-tert-butylphenyl)methyl]-N-[2-(3-chloro-4-fluorophenyl)ethyl]-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 24760410
2-amino-5-bromo-N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 68699008
N-[(4-tert-butylphenyl)methyl]-4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-7-carboxamide
CID 86603128
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 68702574
N-[(4-tert-butylphenyl)methyl]-5-chloro-N-[2-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]-6-fluoro-1H-indole-7-carboxamide
CID 11512471

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide (CID 88930033) is N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide is CC(C)(C)c1ccc(CN(CCc2ccc(F)c(Cl)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is SYNNINNESZGGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2F5NO/c1-26(2,3)18-7-4-17(5-8-18)15-35(11-10-16-6-9-23(30)21(28)12-16)25(36)20-13-19(27(32,33)34)14-22(29)24(20)31/h4-9,12-14H,10-11,15H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide?
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 544.39 g/mol, XLogP of 8.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 88930033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).