N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide

C19H20ClNO — CID 72771533

IUPACN-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide
SMILESCC(C)(C)C=Cc1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-19(2,3)13-12-14-8-10-15(11-9-14)18(22)21-17-7-5-4-6-16(17)20/h4-13H,1-3H3,(H,21,22)
InChIKeyPNFWVIKOVZKUEF-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.65
Rot. Bonds3

About N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide

N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide (PubChem CID 72771533) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide
PubChem CID72771533
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC NameN-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide
SMILESCC(C)(C)C=Cc1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-19(2,3)13-12-14-8-10-15(11-9-14)18(22)21-17-7-5-4-6-16(17)20/h4-13H,1-3H3,(H,21,22)
InChIKeyPNFWVIKOVZKUEF-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide (CID 72771533) is N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide is CC(C)(C)C=Cc1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide?
The InChIKey is PNFWVIKOVZKUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-19(2,3)13-12-14-8-10-15(11-9-14)18(22)21-17-7-5-4-6-16(17)20/h4-13H,1-3H3,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide?
N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide has a molecular weight of 313.83 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(3,3-dimethylbut-1-enyl)benzamide is sourced from PubChem (CID 72771533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).