N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide

C17H18F3NO2 — CID 134032635

IUPACN-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cccc(CCC(=O)N(Cc2ccco2)CC(F)(F)F)c1
InChIInChI=1S/C17H18F3NO2/c1-13-4-2-5-14(10-13)7-8-16(22)21(12-17(18,19)20)11-15-6-3-9-23-15/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyPYBYECINDSJNRJ-UHFFFAOYSA-N
MW325.33 g/mol
LogP4.11
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide

N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 134032635) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID134032635
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC NameN-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cccc(CCC(=O)N(Cc2ccco2)CC(F)(F)F)c1
InChIInChI=1S/C17H18F3NO2/c1-13-4-2-5-14(10-13)7-8-16(22)21(12-17(18,19)20)11-15-6-3-9-23-15/h2-6,9-10H,7-8,11-12H2,1H3
InChIKeyPYBYECINDSJNRJ-UHFFFAOYSA-N
XLogP4.11
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 134032585
N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 87044978
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
3-(3-aminophenyl)-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 80704733
2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60611370
N-(furan-2-ylmethyl)-2-[methyl(naphthalen-1-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60572800
N-benzyl-3-(furan-2-yl)-N-[(2S)-2-hydroxy-2-(3-methylphenyl)ethyl]propanamide
CID 97072110
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559
2-amino-N-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 60937580
2-(furan-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110690605
3-chloro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728690

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 134032635) is N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide is Cc1cccc(CCC(=O)N(Cc2ccco2)CC(F)(F)F)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PYBYECINDSJNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c1-13-4-2-5-14(10-13)7-8-16(22)21(12-17(18,19)20)11-15-6-3-9-23-15/h2-6,9-10H,7-8,11-12H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 325.33 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(3-methylphenyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 134032635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).