N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide

C16H20FNO — CID 112702559

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C16H20FNO/c1-10-6-14(17)4-5-15(10)16(19)18-9-13-8-11-2-3-12(13)7-11/h4-6,11-13H,2-3,7-9H2,1H3,(H,18,19)
InChIKeyQULGRRXHMCMBTN-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.30
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide (PubChem CID 112702559) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
PubChem CID112702559
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C16H20FNO/c1-10-6-14(17)4-5-15(10)16(19)18-9-13-8-11-2-3-12(13)7-11/h4-6,11-13H,2-3,7-9H2,1H3,(H,18,19)
InChIKeyQULGRRXHMCMBTN-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
4-fluoro-2-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 115745696
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxy-3-methylbenzamide
CID 103956855
4-fluoro-2-methyl-N-(thian-4-ylmethyl)benzamide
CID 115745605
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717899
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-sulfanylbenzamide
CID 107029927
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide
CID 63686870
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 98755984
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
CID 63687523
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-difluorophenyl)urea
CID 124922617

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide (CID 112702559) is N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide?
The InChIKey is QULGRRXHMCMBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10-6-14(17)4-5-15(10)16(19)18-9-13-8-11-2-3-12(13)7-11/h4-6,11-13H,2-3,7-9H2,1H3,(H,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide has a molecular weight of 261.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 112702559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).