N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide

C15H18ClNO2 — CID 133178541

IUPACN-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC3CCC2C3)cc1Cl
InChIInChI=1S/C15H18ClNO2/c1-19-14-5-4-11(8-12(14)16)15(18)17-13-7-9-2-3-10(13)6-9/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyDFEKPGSMLHPFBE-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.27
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide

N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide (PubChem CID 133178541) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide
PubChem CID133178541
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC3CCC2C3)cc1Cl
InChIInChI=1S/C15H18ClNO2/c1-19-14-5-4-11(8-12(14)16)15(18)17-13-7-9-2-3-10(13)6-9/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyDFEKPGSMLHPFBE-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide with MolForge

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Related Compounds

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 6952784
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-dimethoxybenzamide
CID 11907103
N-(2-bicyclo[2.2.1]heptanyl)-4-bromo-3-chlorobenzamide
CID 81306954
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-diethoxybenzamide
CID 100533999
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-chloro-4-methoxybenzamide
CID 3980105
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
4-(3-aminoprop-1-ynyl)-N-(2-bicyclo[2.2.1]heptanyl)-3-chlorobenzamide
CID 81293727
4-(benzenesulfonamido)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-chlorobenzamide
CID 125042197
4-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybenzamide
CID 107075411
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide (CID 133178541) is N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide is COc1ccc(C(=O)NC2CC3CCC2C3)cc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide?
The InChIKey is DFEKPGSMLHPFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-19-14-5-4-11(8-12(14)16)15(18)17-13-7-9-2-3-10(13)6-9/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide?
N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide has a molecular weight of 279.77 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-3-chloro-4-methoxybenzamide is sourced from PubChem (CID 133178541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).