2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide

C19H23ClN2O — CID 100610001

IUPAC2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
SMILESCCN(CC)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O/c1-3-22(4-2)18-11-7-16(8-12-18)14-21-19(23)13-15-5-9-17(20)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeySHSVIDTWODHUAE-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.05
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide

2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide (PubChem CID 100610001) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
PubChem CID100610001
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC Name2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
SMILESCCN(CC)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O/c1-3-22(4-2)18-11-7-16(8-12-18)14-21-19(23)13-15-5-9-17(20)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeySHSVIDTWODHUAE-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723
(2S)-2-(4-chlorophenoxy)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 100645893
2-(4-chlorophenyl)sulfanyl-N-[[4-(diethylamino)phenyl]methyl]butanamide
CID 133199616
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
2-(4-chlorophenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 47380839
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
1-N-[(4-chlorophenyl)methyl]-4-N-[[4-(diethylamino)phenyl]methyl]-3,5-dimethylpyrazole-1,4-dicarboxamide
CID 57406331
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945823
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
4-chloro-N-[2-[4-(diethylamino)anilino]-2-oxoethyl]benzamide
CID 113000124

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide (CID 100610001) is 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide is CCN(CC)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide?
The InChIKey is SHSVIDTWODHUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-3-22(4-2)18-11-7-16(8-12-18)14-21-19(23)13-15-5-9-17(20)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide has a molecular weight of 330.86 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 100610001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).