N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide

C17H16ClF3N2O3 — CID 17461594

IUPACN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCc1ccco1
InChIInChI=1S/C17H16ClF3N2O3/c1-23(16(25)7-5-12-3-2-8-26-12)10-15(24)22-11-4-6-14(18)13(9-11)17(19,20)21/h2-4,6,8-9H,5,7,10H2,1H3,(H,22,24)
InChIKeyNAXCLXAGNYLACR-UHFFFAOYSA-N
MW388.77 g/mol
LogP3.98
Rot. Bonds6

About N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide (PubChem CID 17461594) has the molecular formula C17H16ClF3N2O3 and a molecular weight of 388.77 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide
PubChem CID17461594
Molecular FormulaC17H16ClF3N2O3
Molecular Weight388.77 g/mol
Exact Mass388.08
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCc1ccco1
InChIInChI=1S/C17H16ClF3N2O3/c1-23(16(25)7-5-12-3-2-8-26-12)10-15(24)22-11-4-6-14(18)13(9-11)17(19,20)21/h2-4,6,8-9H,5,7,10H2,1H3,(H,22,24)
InChIKeyNAXCLXAGNYLACR-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333443
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide
CID 55606108
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-cyclohexyl-N-methylpropanamide
CID 18229226
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-oxo-4-thiophen-2-ylbutanamide
CID 17480216
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17497153
N-[2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55833426
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26705744
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylcyclopentanecarboxamide
CID 16546535
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 46565159
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134945
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-1-benzofuran-2-carboxamide
CID 7936674
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42904954

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide (CID 17461594) is N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCc1ccco1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide?
The InChIKey is NAXCLXAGNYLACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3/c1-23(16(25)7-5-12-3-2-8-26-12)10-15(24)22-11-4-6-14(18)13(9-11)17(19,20)21/h2-4,6,8-9H,5,7,10H2,1H3,(H,22,24).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide?
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide has a molecular weight of 388.77 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 17461594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).