N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide

C14H12F3NO3 — CID 9482027

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESC[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C14H12F3NO3/c1-9(12-3-2-8-20-12)18-13(19)10-4-6-11(7-5-10)21-14(15,16)17/h2-9H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyDECVLQOQPUUCRM-VIFPVBQESA-N
MW299.25 g/mol
LogP3.67
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide

N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 9482027) has the molecular formula C14H12F3NO3 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID9482027
Molecular FormulaC14H12F3NO3
Molecular Weight299.25 g/mol
Exact Mass299.08
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
SMILESC[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C14H12F3NO3/c1-9(12-3-2-8-20-12)18-13(19)10-4-6-11(7-5-10)21-14(15,16)17/h2-9H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyDECVLQOQPUUCRM-VIFPVBQESA-N
XLogP3.67
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 43193128
N-(1-amino-1-sulfanylidenepropan-2-yl)-4-(trifluoromethoxy)benzamide
CID 116628724
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481732
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 8817714
4-(difluoromethylsulfonyl)-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 8856828
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169194
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673533
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9482281

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide (CID 9482027) is N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide is C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is DECVLQOQPUUCRM-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12F3NO3/c1-9(12-3-2-8-20-12)18-13(19)10-4-6-11(7-5-10)21-14(15,16)17/h2-9H,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide?
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 299.25 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 9482027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).