2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide

C18H19Cl2NO2 — CID 90599532

IUPAC2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(Cl)cc1Cl)(OC)c1ccccc1
InChIInChI=1S/C18H19Cl2NO2/c1-3-18(23-2,13-7-5-4-6-8-13)12-21-17(22)15-10-9-14(19)11-16(15)20/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyFUMLFMRITHWLQR-UHFFFAOYSA-N
MW352.26 g/mol
LogP4.68
Rot. Bonds6

About 2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide

2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide (PubChem CID 90599532) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
PubChem CID90599532
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1ccc(Cl)cc1Cl)(OC)c1ccccc1
InChIInChI=1S/C18H19Cl2NO2/c1-3-18(23-2,13-7-5-4-6-8-13)12-21-17(22)15-10-9-14(19)11-16(15)20/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyFUMLFMRITHWLQR-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599502
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
2,4-dimethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599515
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
2-[[(2,4-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115429513
2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599488
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562
2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543
4-chloro-N-(2-hydroxy-2-phenylpropyl)-2-methoxybenzamide
CID 111335197
2-ethoxy-N-[(2S)-2-methoxy-2-phenylbutyl]acetamide
CID 97428557

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide (CID 90599532) is 2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide is CCC(CNC(=O)c1ccc(Cl)cc1Cl)(OC)c1ccccc1.
What is the InChIKey of 2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide?
The InChIKey is FUMLFMRITHWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-3-18(23-2,13-7-5-4-6-8-13)12-21-17(22)15-10-9-14(19)11-16(15)20/h4-11H,3,12H2,1-2H3,(H,21,22).
What are the key properties of 2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide?
2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide has a molecular weight of 352.26 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide is sourced from PubChem (CID 90599532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).