3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

C17H16ClF3N2O3 — CID 113118133

IUPAC3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1ccco1
InChIInChI=1S/C17H16ClF3N2O3/c1-11(24)23(10-13-3-2-8-26-13)7-6-16(25)22-15-9-12(17(19,20)21)4-5-14(15)18/h2-5,8-9H,6-7,10H2,1H3,(H,22,25)
InChIKeyLZWKNCMQLJOCPR-UHFFFAOYSA-N
MW388.77 g/mol
LogP4.33
Rot. Bonds6

About 3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 113118133) has the molecular formula C17H16ClF3N2O3 and a molecular weight of 388.77 g/mol. Its IUPAC name is 3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
PubChem CID113118133
Molecular FormulaC17H16ClF3N2O3
Molecular Weight388.77 g/mol
Exact Mass388.08
IUPAC Name3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(=O)N(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1ccco1
InChIInChI=1S/C17H16ClF3N2O3/c1-11(24)23(10-13-3-2-8-26-13)7-6-16(25)22-15-9-12(17(19,20)21)4-5-14(15)18/h2-5,8-9H,6-7,10H2,1H3,(H,22,25)
InChIKeyLZWKNCMQLJOCPR-UHFFFAOYSA-N
XLogP4.33
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.77
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-[acetyl(furan-2-ylmethyl)amino]propanoylamino]-4-chlorobenzoate
CID 113118132
3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113115861
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea
CID 22778926
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113135801
methyl 3-[[2-[acetyl(furan-2-ylmethyl)amino]acetyl]amino]-4-chlorobenzoate
CID 113161111
3-[acetyl(furan-2-ylmethyl)amino]-N-(3,4-dimethylphenyl)propanamide
CID 113118081
3-[acetyl(furan-2-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113118178
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea
CID 22778374
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036553
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
3-[acetyl(furan-2-ylmethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113118157

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (CID 113118133) is 3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is CC(=O)N(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Cc1ccco1.
What is the InChIKey of 3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LZWKNCMQLJOCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3/c1-11(24)23(10-13-3-2-8-26-13)7-6-16(25)22-15-9-12(17(19,20)21)4-5-14(15)18/h2-5,8-9H,6-7,10H2,1H3,(H,22,25).
What are the key properties of 3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 388.77 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(furan-2-ylmethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113118133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).