2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide

C20H23ClN2O2 — CID 133214509

IUPAC2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C20H23ClN2O2/c1-3-22-20(25)19(13-16-7-5-4-6-8-16)23(15(2)24)14-17-9-11-18(21)12-10-17/h4-12,19H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyXKCYALRJERDLGF-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.44
Rot. Bonds7

About 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide (PubChem CID 133214509) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
PubChem CID133214509
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C20H23ClN2O2/c1-3-22-20(25)19(13-16-7-5-4-6-8-16)23(15(2)24)14-17-9-11-18(21)12-10-17/h4-12,19H,3,13-14H2,1-2H3,(H,22,25)
InChIKeyXKCYALRJERDLGF-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132622064
2-[(4-chlorophenyl)methyl-[2-(4-fluorophenoxy)acetyl]amino]-N-ethyl-3-phenylpropanamide
CID 132615310
2-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132625645
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152610
2-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132626322
N-[(4-chlorophenyl)methyl]-2-methyl-N-[1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]propanamide
CID 133214590
2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132639859
2-[[2-[N-(benzenesulfonyl)-2-ethylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132638873
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 133214684
2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-ethyl-3-phenylpropanamide
CID 132612672
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)-3-phenylpropanamide
CID 133214644
2-[[2-(4-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132619208

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
The IUPAC name of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide (CID 133214509) is 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
The canonical SMILES for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide is CCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
The InChIKey is XKCYALRJERDLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-3-22-20(25)19(13-16-7-5-4-6-8-16)23(15(2)24)14-17-9-11-18(21)12-10-17/h4-12,19H,3,13-14H2,1-2H3,(H,22,25).
What are the key properties of 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide?
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide has a molecular weight of 358.87 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 133214509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).