2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide

C18H20ClNO — CID 13268024

IUPAC2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide
SMILESCCN(C(=O)Cc1cccc(Cl)c1)C(C)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-3-20(14(2)16-9-5-4-6-10-16)18(21)13-15-8-7-11-17(19)12-15/h4-12,14H,3,13H2,1-2H3
InChIKeyVUQVZBYEIVVBBB-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.49
Rot. Bonds5

About 2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide

2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide (PubChem CID 13268024) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide
PubChem CID13268024
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide
SMILESCCN(C(=O)Cc1cccc(Cl)c1)C(C)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-3-20(14(2)16-9-5-4-6-10-16)18(21)13-15-8-7-11-17(19)12-15/h4-12,14H,3,13H2,1-2H3
InChIKeyVUQVZBYEIVVBBB-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-phenyl-N-(1-phenylethyl)acetamide
CID 86229489
N-(2-chloroethyl)-2-(3-chlorophenyl)-N-pentan-3-ylacetamide
CID 63398181
(2S)-2-[benzyl-[2-(3-chlorophenyl)acetyl]amino]-N-propylbutanamide
CID 100543072
2-(3-chlorophenyl)acetate;[(1S)-1-phenylethyl]azanium
CID 139147195
N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132705652
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
(2S)-2-[benzyl-[2-(3-chlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100585298
(2R)-2-[[2-(3-chlorophenyl)acetyl]-[(3-chlorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100708556
2-(3-chlorophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63224955
2-[(3-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(2-methylpropyl)propanamide
CID 133204820
2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
CID 62498182
2-[(3-chlorophenyl)methyl-(2-phenylacetyl)amino]-3-phenyl-N-propan-2-ylpropanamide
CID 133192674

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide (CID 13268024) is 2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide is CCN(C(=O)Cc1cccc(Cl)c1)C(C)c1ccccc1.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide?
The InChIKey is VUQVZBYEIVVBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-3-20(14(2)16-9-5-4-6-10-16)18(21)13-15-8-7-11-17(19)12-15/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide?
2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide has a molecular weight of 301.82 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 13268024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).