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

C22H26Cl2N2O2 — CID 132666496

IUPAC2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-14(2)25-22(28)16(4)26(13-17-7-5-15(3)6-8-17)21(27)11-18-9-10-19(23)12-20(18)24/h5-10,12,14,16H,11,13H2,1-4H3,(H,25,28)
InChIKeyCZDKDRSHHDXKMB-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.79
Rot. Bonds7

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

2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide (PubChem CID 132666496) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
PubChem CID132666496
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC(C)C)cc1
InChIInChI=1S/C22H26Cl2N2O2/c1-14(2)25-22(28)16(4)26(13-17-7-5-15(3)6-8-17)21(27)11-18-9-10-19(23)12-20(18)24/h5-10,12,14,16H,11,13H2,1-4H3,(H,25,28)
InChIKeyCZDKDRSHHDXKMB-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549705
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132659728
(2S)-2-[[2-(2,4-dichlorophenyl)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100698006
2-[(3-chlorophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 133245042
(2S)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 100582087
(2R)-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100680950
2-[(2,4-dichlorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-propylpropanamide
CID 132666560
2-[(2,4-dichlorophenyl)methyl-[2-(3-methylphenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 132666556
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100624435
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132670402
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100667543
2-[(2,4-dichlorophenyl)methyl-propanoylamino]-N-propan-2-ylpropanamide
CID 132652594

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide (CID 132666496) is 2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide is Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)C(C)C(=O)NC(C)C)cc1.
What is the InChIKey of 2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is CZDKDRSHHDXKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-14(2)25-22(28)16(4)26(13-17-7-5-15(3)6-8-17)21(27)11-18-9-10-19(23)12-20(18)24/h5-10,12,14,16H,11,13H2,1-4H3,(H,25,28).
What are the key properties of 2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide?
2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 421.37 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 132666496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).