N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide

C16H18F3NO — CID 63682271

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
SMILESCN(CC1CC2CCC1C2)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H18F3NO/c1-20(8-12-5-9-2-3-10(12)4-9)16(21)11-6-13(17)15(19)14(18)7-11/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeySKCJQNBGHXOERC-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.61
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide (PubChem CID 63682271) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
PubChem CID63682271
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
SMILESCN(CC1CC2CCC1C2)C(=O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C16H18F3NO/c1-20(8-12-5-9-2-3-10(12)4-9)16(21)11-6-13(17)15(19)14(18)7-11/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeySKCJQNBGHXOERC-UHFFFAOYSA-N
XLogP3.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728501
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoro-N-methylbenzamide
CID 107121074
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide
CID 66464343
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
CID 63688831
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 63682333
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 63686305
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
CID 107952430
4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-3-fluorobenzoic acid
CID 63685182
3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607828
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63686486
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 63686503
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 63681607

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide (CID 63682271) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide is CN(CC1CC2CCC1C2)C(=O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide?
The InChIKey is SKCJQNBGHXOERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-20(8-12-5-9-2-3-10(12)4-9)16(21)11-6-13(17)15(19)14(18)7-11/h6-7,9-10,12H,2-5,8H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide has a molecular weight of 297.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide is sourced from PubChem (CID 63682271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).