N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide

C15H17ClFNO — CID 62613246

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
SMILESO=C(NCC1CC2CCC1C2)c1cc(Cl)ccc1F
InChIInChI=1S/C15H17ClFNO/c16-12-3-4-14(17)13(7-12)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,19)
InChIKeyUTYDDGGNCJFNPD-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.65
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide (PubChem CID 62613246) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
PubChem CID62613246
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
SMILESO=C(NCC1CC2CCC1C2)c1cc(Cl)ccc1F
InChIInChI=1S/C15H17ClFNO/c16-12-3-4-14(17)13(7-12)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,19)
InChIKeyUTYDDGGNCJFNPD-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydroxybenzamide
CID 55232835
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide
CID 113229608
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
CID 63687169
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-sulfanylbenzamide
CID 107029927
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide
CID 113229546
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide
CID 63686504
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
CID 63687178
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038502
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-chloro-2-fluorobenzamide
CID 113276186
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648978

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide (CID 62613246) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide is O=C(NCC1CC2CCC1C2)c1cc(Cl)ccc1F.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide?
The InChIKey is UTYDDGGNCJFNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO/c16-12-3-4-14(17)13(7-12)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide has a molecular weight of 281.76 g/mol, XLogP of 3.65, 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)-5-chloro-2-fluorobenzamide is sourced from PubChem (CID 62613246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).