N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide

C16H12ClF5N2O — CID 109042490

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)cc1F)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H12ClF5N2O/c17-12-3-2-10(8-11(12)16(20,21)22)24-15(25)5-6-23-14-4-1-9(18)7-13(14)19/h1-4,7-8,23H,5-6H2,(H,24,25)
InChIKeyXAMVOXASDLDLLM-UHFFFAOYSA-N
MW378.73 g/mol
LogP5.08
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide (PubChem CID 109042490) has the molecular formula C16H12ClF5N2O and a molecular weight of 378.73 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide
PubChem CID109042490
Molecular FormulaC16H12ClF5N2O
Molecular Weight378.73 g/mol
Exact Mass378.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)cc1F)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H12ClF5N2O/c17-12-3-2-10(8-11(12)16(20,21)22)24-15(25)5-6-23-14-4-1-9(18)7-13(14)19/h1-4,7-8,23H,5-6H2,(H,24,25)
InChIKeyXAMVOXASDLDLLM-UHFFFAOYSA-N
XLogP5.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.73
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035
N-(4-acetamidophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109041216
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-fluorophenyl)propanamide
CID 109037666
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
3-(2,5-dichloroanilino)-N-(4-fluorophenyl)propanamide
CID 109037695
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide
CID 109041600
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
CID 109032309
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
CID 94285475

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide (CID 109042490) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide is O=C(CCNc1ccc(F)cc1F)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide?
The InChIKey is XAMVOXASDLDLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF5N2O/c17-12-3-2-10(8-11(12)16(20,21)22)24-15(25)5-6-23-14-4-1-9(18)7-13(14)19/h1-4,7-8,23H,5-6H2,(H,24,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide has a molecular weight of 378.73 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2,4-difluoroanilino)propanamide is sourced from PubChem (CID 109042490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).