2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide

C21H25ClN2O2 — CID 132655993

IUPAC2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-4-23-21(26)16(3)24(14-18-9-5-7-15(2)11-18)20(25)13-17-8-6-10-19(22)12-17/h5-12,16H,4,13-14H2,1-3H3,(H,23,26)
InChIKeyPNDPLJSWSOTDEJ-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.74
Rot. Bonds7

About 2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide

2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide (PubChem CID 132655993) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide
PubChem CID132655993
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-4-23-21(26)16(3)24(14-18-9-5-7-15(2)11-18)20(25)13-17-8-6-10-19(22)12-17/h5-12,16H,4,13-14H2,1-3H3,(H,23,26)
InChIKeyPNDPLJSWSOTDEJ-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-butyl-2-[(3-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 100557922
N-butan-2-yl-2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132705654
2-[(3-chlorophenyl)methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-N-ethylpropanamide
CID 132947681
N-ethyl-2-[(4-methoxyphenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132655277
2-[[2-(3,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylpropanamide
CID 132666522
2-[(4-chlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132705644
N-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132712859
2-[(3-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(2-methylpropyl)propanamide
CID 133204820
2-[[2-(2,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylpropanamide
CID 132666494
2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132763709
2-[[2-(2,4-dichlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132667145
2-[[2-(3,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132712757

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide (CID 132655993) is 2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide?
The InChIKey is PNDPLJSWSOTDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-4-23-21(26)16(3)24(14-18-9-5-7-15(2)11-18)20(25)13-17-8-6-10-19(22)12-17/h5-12,16H,4,13-14H2,1-3H3,(H,23,26).
What are the key properties of 2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide?
2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide has a molecular weight of 372.90 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 132655993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).