N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide

C19H20ClNO2 — CID 70691008

IUPACN-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO2/c1-19(2,3)17(16(22)13-9-11-15(20)12-10-13)21-18(23)14-7-5-4-6-8-14/h4-12,17H,1-3H3,(H,21,23)
InChIKeyOSRJLGOOPNGZRD-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.37
Rot. Bonds4

About N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide

N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide (PubChem CID 70691008) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide
PubChem CID70691008
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC NameN-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO2/c1-19(2,3)17(16(22)13-9-11-15(20)12-10-13)21-18(23)14-7-5-4-6-8-14/h4-12,17H,1-3H3,(H,21,23)
InChIKeyOSRJLGOOPNGZRD-UHFFFAOYSA-N
XLogP4.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide (CID 70691008) is N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide is CC(C)(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide?
The InChIKey is OSRJLGOOPNGZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-19(2,3)17(16(22)13-9-11-15(20)12-10-13)21-18(23)14-7-5-4-6-8-14/h4-12,17H,1-3H3,(H,21,23).
What are the key properties of N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide?
N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide has a molecular weight of 329.83 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3,3-dimethyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 70691008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).