2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide

C21H23Cl3N2O2 — CID 132672347

IUPAC2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C21H23Cl3N2O2/c1-13(2)25-21(28)14(3)26(12-16-7-8-18(23)11-19(16)24)20(27)10-15-5-4-6-17(22)9-15/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,28)
InChIKeyQOMNSRDHSQHLNP-UHFFFAOYSA-N
MW441.79 g/mol
LogP5.13
Rot. Bonds7

About 2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide

2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132672347) has the molecular formula C21H23Cl3N2O2 and a molecular weight of 441.79 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
PubChem CID132672347
Molecular FormulaC21H23Cl3N2O2
Molecular Weight441.79 g/mol
Exact Mass440.08
IUPAC Name2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C21H23Cl3N2O2/c1-13(2)25-21(28)14(3)26(12-16-7-8-18(23)11-19(16)24)20(27)10-15-5-4-6-17(22)9-15/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,28)
InChIKeyQOMNSRDHSQHLNP-UHFFFAOYSA-N
XLogP5.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.79
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132666556
2-[(3-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 133245042
(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100698006
2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 132615143
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132652594
2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132675999
(2R)-N-[(2R)-butan-2-yl]-2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-[(2,4-dichlorophenyl)methyl]amino]propanamide
CID 100576344
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(4-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]propanamide
CID 100580244
N-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]propanamide
CID 132712859
(2R)-2-[3-benzylsulfanylpropanoyl-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100696482
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(3-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]propanamide
CID 100566840
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132666496

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide (CID 132672347) is 2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is QOMNSRDHSQHLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl3N2O2/c1-13(2)25-21(28)14(3)26(12-16-7-8-18(23)11-19(16)24)20(27)10-15-5-4-6-17(22)9-15/h4-9,11,13-14H,10,12H2,1-3H3,(H,25,28).
What are the key properties of 2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide?
2-[[2-(3-chlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 441.79 g/mol, XLogP of 5.13, 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]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132672347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).