N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide

C18H16F3NO2 — CID 40918040

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H]1COc2ccccc2C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)15-7-5-13(6-8-15)17(23)22-10-12-9-14-3-1-2-4-16(14)24-11-12/h1-8,12H,9-11H2,(H,22,23)/t12-/m1/s1
InChIKeyUJHVOGFKDPDRAU-GFCCVEGCSA-N
MW335.33 g/mol
LogP3.69
Rot. Bonds3

About N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 40918040) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID40918040
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H]1COc2ccccc2C1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO2/c19-18(20,21)15-7-5-13(6-8-15)17(23)22-10-12-9-14-3-1-2-4-16(14)24-11-12/h1-8,12H,9-11H2,(H,22,23)/t12-/m1/s1
InChIKeyUJHVOGFKDPDRAU-GFCCVEGCSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethylsulfonyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 51212101
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-morpholin-4-ylbenzamide
CID 72860096
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51129710
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 94232204
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(tetrazol-1-ylmethyl)benzamide
CID 72933785
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(hydroxymethyl)-3H-benzimidazole-5-carboxamide
CID 72935726
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 55394774
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide (CID 40918040) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide is O=C(NC[C@@H]1COc2ccccc2C1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UJHVOGFKDPDRAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16F3NO2/c19-18(20,21)15-7-5-13(6-8-15)17(23)22-10-12-9-14-3-1-2-4-16(14)24-11-12/h1-8,12H,9-11H2,(H,22,23)/t12-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 335.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 40918040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).