N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide

C19H23Cl2NO — CID 42700984

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC1CC2C=CC1C2)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2NO/c1-12(2)10-22(11-15-8-13-3-4-14(15)7-13)19(23)17-6-5-16(20)9-18(17)21/h3-6,9,12-15H,7-8,10-11H2,1-2H3
InChIKeyGRIRGDDVQYBJRU-UHFFFAOYSA-N
MW352.31 g/mol
LogP5.30
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide (PubChem CID 42700984) has the molecular formula C19H23Cl2NO and a molecular weight of 352.31 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide
PubChem CID42700984
Molecular FormulaC19H23Cl2NO
Molecular Weight352.31 g/mol
Exact Mass351.12
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(CC1CC2C=CC1C2)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl2NO/c1-12(2)10-22(11-15-8-13-3-4-14(15)7-13)19(23)17-6-5-16(20)9-18(17)21/h3-6,9,12-15H,7-8,10-11H2,1-2H3
InChIKeyGRIRGDDVQYBJRU-UHFFFAOYSA-N
XLogP5.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 55.30
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

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide
CID 42724667
N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide
CID 42701072
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11336016
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
2-[(4-chloro-2-nitrobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 63071854
4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
CID 43789197
2-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61115159
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
CID 3931382
N-butyl-2,4-dichloro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611844
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide (CID 42700984) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide is CC(C)CN(CC1CC2C=CC1C2)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide?
The InChIKey is GRIRGDDVQYBJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO/c1-12(2)10-22(11-15-8-13-3-4-14(15)7-13)19(23)17-6-5-16(20)9-18(17)21/h3-6,9,12-15H,7-8,10-11H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(2-methylpropyl)benzamide has a molecular weight of 352.31 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 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)-2,4-dichloro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42700984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).