N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide

C15H16ClNO — CID 3931382

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
SMILESO=C(NCC1CC2C=CC1C2)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c16-14-4-2-1-3-13(14)15(18)17-9-12-8-10-5-6-11(12)7-10/h1-6,10-12H,7-9H2,(H,17,18)
InChIKeyYWPGYEKGONWSOQ-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.28
Rot. Bonds3

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide (PubChem CID 3931382) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
PubChem CID3931382
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
SMILESO=C(NCC1CC2C=CC1C2)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO/c16-14-4-2-1-3-13(14)15(18)17-9-12-8-10-5-6-11(12)7-10/h1-6,10-12H,7-9H2,(H,17,18)
InChIKeyYWPGYEKGONWSOQ-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide
CID 51721297
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 99794196
1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylurea
CID 4610236
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(2-chlorophenyl)methyl]methanamine
CID 43225192
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide
CID 70719625
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51043240
4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
CID 43789197
3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,1-dimethylurea
CID 24847532
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[(2-carbamoylphenoxy)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 98229547

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide (CID 3931382) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide is O=C(NCC1CC2C=CC1C2)c1ccccc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide?
The InChIKey is YWPGYEKGONWSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-14-4-2-1-3-13(14)15(18)17-9-12-8-10-5-6-11(12)7-10/h1-6,10-12H,7-9H2,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide has a molecular weight of 261.75 g/mol, XLogP of 3.28, 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]hept-5-enylmethyl)-2-chlorobenzamide is sourced from PubChem (CID 3931382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).