N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide

C15H14ClF3N2O2 — CID 9333443

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1
InChIInChI=1S/C15H14ClF3N2O2/c1-21(8-11-3-2-6-23-11)9-14(22)20-10-4-5-13(16)12(7-10)15(17,18)19/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyNPVNMQNBRGBEQZ-UHFFFAOYSA-N
MW346.74 g/mol
LogP4.02
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide (PubChem CID 9333443) has the molecular formula C15H14ClF3N2O2 and a molecular weight of 346.74 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
PubChem CID9333443
Molecular FormulaC15H14ClF3N2O2
Molecular Weight346.74 g/mol
Exact Mass346.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1
InChIInChI=1S/C15H14ClF3N2O2/c1-21(8-11-3-2-6-23-11)9-14(22)20-10-4-5-13(16)12(7-10)15(17,18)19/h2-7H,8-9H2,1H3,(H,20,22)
InChIKeyNPVNMQNBRGBEQZ-UHFFFAOYSA-N
XLogP4.02
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide
CID 17461594
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide
CID 55606108
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9333158
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 27217285
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 31379581
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134945
N-(2-chlorophenyl)-3-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38354927
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 16577066
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711413
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide
CID 26293555

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide (CID 9333443) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide?
The InChIKey is NPVNMQNBRGBEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O2/c1-21(8-11-3-2-6-23-11)9-14(22)20-10-4-5-13(16)12(7-10)15(17,18)19/h2-7H,8-9H2,1H3,(H,20,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide has a molecular weight of 346.74 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 9333443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).