N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide

C18H17Cl2NO2 — CID 70693134

IUPACN-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2NO2/c1-11(2)16(21-18(23)12-6-4-3-5-7-12)17(22)13-8-9-14(19)15(20)10-13/h3-11,16H,1-2H3,(H,21,23)
InChIKeyKEQCKEFNTDXKBN-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.63
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide

N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 70693134) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID70693134
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC NameN-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H17Cl2NO2/c1-11(2)16(21-18(23)12-6-4-3-5-7-12)17(22)13-8-9-14(19)15(20)10-13/h3-11,16H,1-2H3,(H,21,23)
InChIKeyKEQCKEFNTDXKBN-UHFFFAOYSA-N
XLogP4.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide (CID 70693134) is N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is KEQCKEFNTDXKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-11(2)16(21-18(23)12-6-4-3-5-7-12)17(22)13-8-9-14(19)15(20)10-13/h3-11,16H,1-2H3,(H,21,23).
What are the key properties of N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide?
N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 350.25 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 70693134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).