N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide

C20H25Cl2NO — CID 42724667

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(CC1CC2C=CC1C2)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H25Cl2NO/c1-12(2)13(3)23(11-16-9-14-4-5-15(16)8-14)20(24)18-7-6-17(21)10-19(18)22/h4-7,10,12-16H,8-9,11H2,1-3H3
InChIKeyHKBWRAJROIYOMK-UHFFFAOYSA-N
MW366.33 g/mol
LogP5.69
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide (PubChem CID 42724667) has the molecular formula C20H25Cl2NO and a molecular weight of 366.33 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide
PubChem CID42724667
Molecular FormulaC20H25Cl2NO
Molecular Weight366.33 g/mol
Exact Mass365.13
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)N(CC1CC2C=CC1C2)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H25Cl2NO/c1-12(2)13(3)23(11-16-9-14-4-5-15(16)8-14)20(24)18-7-6-17(21)10-19(18)22/h4-7,10,12-16H,8-9,11H2,1-3H3
InChIKeyHKBWRAJROIYOMK-UHFFFAOYSA-N
XLogP5.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.33
LogP ≤ 55.69
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-(2-methylpropyl)benzamide
CID 42700984
ethyl 4-[2-bicyclo[2.2.1]hept-5-enylmethyl(3-methylbutan-2-yl)amino]-4-oxobutanoate
CID 42724674
3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]propanoic acid
CID 60830882
N-benzyl-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-chlorobenzamide
CID 42701072
2,4-dichloro-N-(2-methylpropyl)-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11336016
4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorobenzamide
CID 43789197
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-chlorobenzamide
CID 3931382
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
N-[(1-benzylpyrrol-2-yl)methyl]-N-[(2R)-butan-2-yl]-2,4-dichlorobenzamide
CID 7397535
2,4-dichloro-N-methyl-N-(3-methyl-1-pyrrolidin-1-ylbutan-2-yl)benzamide
CID 67773029
2,4-dichloro-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79700911
2-[2-[2-bicyclo[2.2.1]hept-5-enylmethyl(propan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 75372245

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide (CID 42724667) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)N(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-(3-methylbutan-2-yl)benzamide?
The InChIKey is HKBWRAJROIYOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2NO/c1-12(2)13(3)23(11-16-9-14-4-5-15(16)8-14)20(24)18-7-6-17(21)10-19(18)22/h4-7,10,12-16H,8-9,11H2,1-3H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,4-dichloro-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 366.33 g/mol, XLogP of 5.69, 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-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 42724667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).