N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide

C22H22ClNO — CID 42701072

IUPACN-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccccc1)CC1CC2C=CC1C2
InChIInChI=1S/C22H22ClNO/c23-21-10-8-18(9-11-21)22(25)24(14-16-4-2-1-3-5-16)15-20-13-17-6-7-19(20)12-17/h1-11,17,19-20H,12-15H2
InChIKeyFZKFBCZCRPVEJN-UHFFFAOYSA-N
MW351.88 g/mol
LogP5.19
Rot. Bonds5

About N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide

N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide (PubChem CID 42701072) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide
PubChem CID42701072
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC NameN-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide
SMILESO=C(c1ccc(Cl)cc1)N(Cc1ccccc1)CC1CC2C=CC1C2
InChIInChI=1S/C22H22ClNO/c23-21-10-8-18(9-11-21)22(25)24(14-16-4-2-1-3-5-16)15-20-13-17-6-7-19(20)12-17/h1-11,17,19-20H,12-15H2
InChIKeyFZKFBCZCRPVEJN-UHFFFAOYSA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-phenylprop-2-enamide
CID 42701074
N-benzyl-4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 102566153
N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]-4-phenoxybenzamide
CID 11656423
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide
CID 42700984
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N-(pyridin-3-ylmethyl)isoquinoline-1-carboxamide
CID 11921666
N-[[(3R,4R)-4-benzylpyrrolidin-3-yl]methyl]-N-[(4-chlorophenyl)methyl]furan-2-carboxamide
CID 141147787
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 11921659
N-benzyl-4-chloro-N-phenylbenzamide
CID 20787883
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-chlorobenzamide
CID 42725519
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 42700955
[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl 2-phenylacetate
CID 98571872
[2-(dibenzylamino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 23740509

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide?
The IUPAC name of N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide (CID 42701072) is N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide.
What is the SMILES notation for N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide?
The canonical SMILES for N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide is O=C(c1ccc(Cl)cc1)N(Cc1ccccc1)CC1CC2C=CC1C2.
What is the InChIKey of N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide?
The InChIKey is FZKFBCZCRPVEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO/c23-21-10-8-18(9-11-21)22(25)24(14-16-4-2-1-3-5-16)15-20-13-17-6-7-19(20)12-17/h1-11,17,19-20H,12-15H2.
What are the key properties of N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide?
N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide has a molecular weight of 351.88 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide is sourced from PubChem (CID 42701072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).