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

C16H12ClF5N2O — CID 109042579

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)c(F)c1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H12ClF5N2O/c17-9-1-4-14(11(7-9)16(20,21)22)24-15(25)5-6-23-10-2-3-12(18)13(19)8-10/h1-4,7-8,23H,5-6H2,(H,24,25)
InChIKeyXGZYFLKGDZXUTR-UHFFFAOYSA-N
MW378.73 g/mol
LogP5.08
Rot. Bonds5

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide (PubChem CID 109042579) has the molecular formula C16H12ClF5N2O and a molecular weight of 378.73 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide
PubChem CID109042579
Molecular FormulaC16H12ClF5N2O
Molecular Weight378.73 g/mol
Exact Mass378.06
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide
SMILESO=C(CCNc1ccc(F)c(F)c1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H12ClF5N2O/c17-9-1-4-14(11(7-9)16(20,21)22)24-15(25)5-6-23-10-2-3-12(18)13(19)8-10/h1-4,7-8,23H,5-6H2,(H,24,25)
InChIKeyXGZYFLKGDZXUTR-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

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-fluoroanilino)propanamide
CID 109042072
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
CID 108956825
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3-methylanilino)propanamide
CID 109034313
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012899
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
N-(3,4-dichlorophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109042632
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 2518054
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 4847009
N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109038512
3-(3,4-difluoroanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 109036899
N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109040864

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide (CID 109042579) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide is O=C(CCNc1ccc(F)c(F)c1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide?
The InChIKey is XGZYFLKGDZXUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF5N2O/c17-9-1-4-14(11(7-9)16(20,21)22)24-15(25)5-6-23-10-2-3-12(18)13(19)8-10/h1-4,7-8,23H,5-6H2,(H,24,25).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-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-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide is sourced from PubChem (CID 109042579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).