N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide

C16H10ClF5N2O2 — CID 108956825

IUPACN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H10ClF5N2O2/c17-8-1-4-13(10(5-8)16(20,21)22)24-15(26)7-14(25)23-9-2-3-11(18)12(19)6-9/h1-6H,7H2,(H,23,25)(H,24,26)
InChIKeyFSPAXLGWFMLGEK-UHFFFAOYSA-N
MW392.71 g/mol
LogP4.60
Rot. Bonds4

About N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide

N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide (PubChem CID 108956825) has the molecular formula C16H10ClF5N2O2 and a molecular weight of 392.71 g/mol. Its IUPAC name is N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide.

Molecular Properties

Compound NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
PubChem CID108956825
Molecular FormulaC16H10ClF5N2O2
Molecular Weight392.71 g/mol
Exact Mass392.04
IUPAC NameN'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H10ClF5N2O2/c17-8-1-4-13(10(5-8)16(20,21)22)24-15(26)7-14(25)23-9-2-3-11(18)12(19)6-9/h1-6H,7H2,(H,23,25)(H,24,26)
InChIKeyFSPAXLGWFMLGEK-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.71
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
CID 108954992
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-difluoroanilino)propanamide
CID 109042579
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
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-[4-[4-chloro-2-(trifluoromethyl)anilino]phenyl]propanamide
CID 112989530
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 4512621
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
N-(3,4-difluorophenyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108956092
2-[(4-chloro-2-fluorophenyl)carbamoylamino]-N-(3,4-difluorophenyl)acetamide
CID 55473015

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide?
The IUPAC name of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide (CID 108956825) is N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide.
What is the SMILES notation for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide?
The canonical SMILES for N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide is O=C(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Nc1ccc(F)c(F)c1.
What is the InChIKey of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide?
The InChIKey is FSPAXLGWFMLGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF5N2O2/c17-8-1-4-13(10(5-8)16(20,21)22)24-15(26)7-14(25)23-9-2-3-11(18)12(19)6-9/h1-6H,7H2,(H,23,25)(H,24,26).
What are the key properties of N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide?
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide has a molecular weight of 392.71 g/mol, XLogP of 4.60, 4 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]-N-(3,4-difluorophenyl)propanediamide is sourced from PubChem (CID 108956825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).