N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide

C19H21F3N2O3 — CID 110351272

IUPACN-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C19H21F3N2O3/c1-12(2)10-16(18(26)23-11-15-4-3-9-27-15)24-17(25)13-5-7-14(8-6-13)19(20,21)22/h3-9,12,16H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeySVGCKWSIBIYUNW-INIZCTEOSA-N
MW382.38 g/mol
LogP3.76
Rot. Bonds7

About N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide

N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 110351272) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID110351272
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC NameN-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C19H21F3N2O3/c1-12(2)10-16(18(26)23-11-15-4-3-9-27-15)24-17(25)13-5-7-14(8-6-13)19(20,21)22/h3-9,12,16H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeySVGCKWSIBIYUNW-INIZCTEOSA-N
XLogP3.76
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-3,4-dimethylbenzamide
CID 110351242
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
3-[[[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 60547044
(2S)-N-(furan-2-ylmethyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]pentanamide
CID 110351245
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920628
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide
CID 94814781
5-(furan-2-ylmethylamino)-5-oxo-3-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 2826232
4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 134050577

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide (CID 110351272) is N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide is CC(C)C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)NCc1ccco1.
What is the InChIKey of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is SVGCKWSIBIYUNW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-12(2)10-16(18(26)23-11-15-4-3-9-27-15)24-17(25)13-5-7-14(8-6-13)19(20,21)22/h3-9,12,16H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide?
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 382.38 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110351272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).