3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide

C17H15ClF4N2O — CID 109021116

IUPAC3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCNc1cc(C(F)(F)F)ccc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C17H15ClF4N2O/c18-14-6-3-12(17(20,21)22)9-15(14)23-8-7-16(25)24-10-11-1-4-13(19)5-2-11/h1-6,9,23H,7-8,10H2,(H,24,25)
InChIKeyLIVUKKGUPFYMEG-UHFFFAOYSA-N
MW374.77 g/mol
LogP4.62
Rot. Bonds6

About 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide

3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 109021116) has the molecular formula C17H15ClF4N2O and a molecular weight of 374.77 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID109021116
Molecular FormulaC17H15ClF4N2O
Molecular Weight374.77 g/mol
Exact Mass374.08
IUPAC Name3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCNc1cc(C(F)(F)F)ccc1Cl)NCc1ccc(F)cc1
InChIInChI=1S/C17H15ClF4N2O/c18-14-6-3-12(17(20,21)22)9-15(14)23-8-7-16(25)24-10-11-1-4-13(19)5-2-11/h1-6,9,23H,7-8,10H2,(H,24,25)
InChIKeyLIVUKKGUPFYMEG-UHFFFAOYSA-N
XLogP4.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.77
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-fluorophenyl)propanamide
CID 109037666
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 17087741
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[3-(dimethylamino)propyl]propanamide
CID 109016986
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(3-fluorophenyl)propanamide
CID 109041600
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-fluorophenyl)propanamide
CID 109037505
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide
CID 109016643
3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879787
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(pyridin-4-ylmethyl)propanediamide
CID 108947865
1-(4-acetylpiperazin-1-yl)-3-[2-chloro-5-(trifluoromethyl)anilino]propan-1-one
CID 109018223
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039626

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide (CID 109021116) is 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide is O=C(CCNc1cc(C(F)(F)F)ccc1Cl)NCc1ccc(F)cc1.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is LIVUKKGUPFYMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF4N2O/c18-14-6-3-12(17(20,21)22)9-15(14)23-8-7-16(25)24-10-11-1-4-13(19)5-2-11/h1-6,9,23H,7-8,10H2,(H,24,25).
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide?
3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 374.77 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)anilino]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 109021116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).