2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide

C18H20ClNO — CID 62225537

IUPAC2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
SMILESCCN(CC)C(=O)C(Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20ClNO/c1-3-20(4-2)18(21)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17H,3-4H2,1-2H3
InChIKeyOJIDDJSKZROLCV-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.50
Rot. Bonds5

About 2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide

2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide (PubChem CID 62225537) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
PubChem CID62225537
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
SMILESCCN(CC)C(=O)C(Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20ClNO/c1-3-20(4-2)18(21)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17H,3-4H2,1-2H3
InChIKeyOJIDDJSKZROLCV-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
2-chloro-N,N-diethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62225357
2-chloro-N-ethyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54949363
2-chloro-N-ethyl-N,2-diphenylacetamide
CID 43245479
methyl 2-chloro-2-(4-phenylphenyl)acetate
CID 55048098
2-chloro-N,N-bis(2-ethoxyethyl)-2-phenylacetamide
CID 82960088
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-chloro-2-(2,6-dichlorophenyl)-N,N-diethylacetamide
CID 55048250
2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide
CID 106531991
N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide
CID 110316778
2-chloro-N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 61435349
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide?
The IUPAC name of 2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide (CID 62225537) is 2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide is CCN(CC)C(=O)C(Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide?
The InChIKey is OJIDDJSKZROLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-3-20(4-2)18(21)17(19)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h5-13,17H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide?
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide has a molecular weight of 301.82 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 62225537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).