2-chloro-N-ethyl-N,2-diphenylacetamide

C16H16ClNO — CID 43245479

IUPAC2-chloro-N-ethyl-N,2-diphenylacetamide
SMILESCCN(C(=O)C(Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-2-18(14-11-7-4-8-12-14)16(19)15(17)13-9-5-3-6-10-13/h3-12,15H,2H2,1H3
InChIKeyRMCRNRLSMSHDOO-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-N-ethyl-N,2-diphenylacetamide

2-chloro-N-ethyl-N,2-diphenylacetamide (PubChem CID 43245479) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N,2-diphenylacetamide
PubChem CID43245479
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-chloro-N-ethyl-N,2-diphenylacetamide
SMILESCCN(C(=O)C(Cl)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-2-18(14-11-7-4-8-12-14)16(19)15(17)13-9-5-3-6-10-13/h3-12,15H,2H2,1H3
InChIKeyRMCRNRLSMSHDOO-UHFFFAOYSA-N
XLogP4.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.02
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

N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
N-ethyl-2-methylsulfanyl-N,2-diphenylacetamide
CID 101243744
2-chloro-N-(2-cyanoethyl)-N,2-diphenylacetamide
CID 43245519
(2R)-N-ethyl-N,2-diphenyl-2-phenylsulfanylacetamide
CID 884563
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
N-ethyl-2-hydroxy-2-(4-methylphenyl)-N-phenylacetamide
CID 82134297
N-ethyl-2-phenoxy-N-phenylbutanamide
CID 4132728
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
N-ethyl-N,2-diphenyl-2-pyridin-2-ylacetamide
CID 110373393
2-(2-aminoethyl)-N-ethyl-3-methyl-N-phenylbutanamide
CID 112516009
N-ethyl-2-methyl-3-(methylamino)-N-phenylpropanamide
CID 79196237
5-(N-ethylanilino)-4-methyl-5-oxopentanoic acid
CID 11492533

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N,2-diphenylacetamide?
The IUPAC name of 2-chloro-N-ethyl-N,2-diphenylacetamide (CID 43245479) is 2-chloro-N-ethyl-N,2-diphenylacetamide.
What is the SMILES notation for 2-chloro-N-ethyl-N,2-diphenylacetamide?
The canonical SMILES for 2-chloro-N-ethyl-N,2-diphenylacetamide is CCN(C(=O)C(Cl)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloro-N-ethyl-N,2-diphenylacetamide?
The InChIKey is RMCRNRLSMSHDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-2-18(14-11-7-4-8-12-14)16(19)15(17)13-9-5-3-6-10-13/h3-12,15H,2H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N,2-diphenylacetamide?
2-chloro-N-ethyl-N,2-diphenylacetamide has a molecular weight of 273.76 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N,2-diphenylacetamide is sourced from PubChem (CID 43245479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).