2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide

C30H28Cl2N2O2 — CID 132621952

IUPAC2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C30H28Cl2N2O2/c1-33-30(36)28(19-21-8-3-2-4-9-21)34(20-22-14-16-26(31)27(32)18-22)29(35)17-15-24-12-7-11-23-10-5-6-13-25(23)24/h2-14,16,18,28H,15,17,19-20H2,1H3,(H,33,36)
InChIKeyHLRNFNZIUBIFGY-UHFFFAOYSA-N
MW519.47 g/mol
LogP6.47
Rot. Bonds9

About 2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide

2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide (PubChem CID 132621952) has the molecular formula C30H28Cl2N2O2 and a molecular weight of 519.47 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
PubChem CID132621952
Molecular FormulaC30H28Cl2N2O2
Molecular Weight519.47 g/mol
Exact Mass518.15
IUPAC Name2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C30H28Cl2N2O2/c1-33-30(36)28(19-21-8-3-2-4-9-21)34(20-22-14-16-26(31)27(32)18-22)29(35)17-15-24-12-7-11-23-10-5-6-13-25(23)24/h2-14,16,18,28H,15,17,19-20H2,1H3,(H,33,36)
InChIKeyHLRNFNZIUBIFGY-UHFFFAOYSA-N
XLogP6.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.47
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 100708153
2-[(3-bromophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132623446
(2S)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 100595884
2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methylbutanamide
CID 132663006
2-[(3,4-dichlorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132619577
(2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide
CID 100704329
2-[(3,4-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132617220
2-[(3,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132615914
2-[(3,4-dichlorophenyl)methyl-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132635353
(2R)-N-butyl-2-[3-(2-chlorophenyl)propanoyl-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 100696634
2-[[2-(2,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132622691
2-[benzyl(3-naphthalen-1-ylpropanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133212215

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide (CID 132621952) is 2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide is CNC(=O)C(Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
The InChIKey is HLRNFNZIUBIFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28Cl2N2O2/c1-33-30(36)28(19-21-8-3-2-4-9-21)34(20-22-14-16-26(31)27(32)18-22)29(35)17-15-24-12-7-11-23-10-5-6-13-25(23)24/h2-14,16,18,28H,15,17,19-20H2,1H3,(H,33,36).
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide?
2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide has a molecular weight of 519.47 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 132621952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).