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

C26H28Cl2N2O2 — CID 100704329

IUPAC(2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C26H28Cl2N2O2/c1-17(2)29-26(32)18(3)30(16-19-11-13-23(27)24(28)15-19)25(31)14-12-21-9-6-8-20-7-4-5-10-22(20)21/h4-11,13,15,17-18H,12,14,16H2,1-3H3,(H,29,32)/t18-/m1/s1
InChIKeyGARTUUXUZLYPKI-GOSISDBHSA-N
MW471.43 g/mol
LogP6.02
Rot. Bonds8

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

(2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide (PubChem CID 100704329) has the molecular formula C26H28Cl2N2O2 and a molecular weight of 471.43 g/mol. Its IUPAC name is (2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide
PubChem CID100704329
Molecular FormulaC26H28Cl2N2O2
Molecular Weight471.43 g/mol
Exact Mass470.15
IUPAC Name(2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C26H28Cl2N2O2/c1-17(2)29-26(32)18(3)30(16-19-11-13-23(27)24(28)15-19)25(31)14-12-21-9-6-8-20-7-4-5-10-22(20)21/h4-11,13,15,17-18H,12,14,16H2,1-3H3,(H,29,32)/t18-/m1/s1
InChIKeyGARTUUXUZLYPKI-GOSISDBHSA-N
XLogP6.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132618963
(2S)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propylbutanamide
CID 100595884
(2S)-2-[(3,4-dichlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 100702370
(2S)-2-[[2-(2,6-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100704911
2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132621952
(2S)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100557658
2-[benzyl-[3-(2-chlorophenyl)propanoyl]amino]-N-propan-2-ylpropanamide
CID 132658494
(2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100540105
N-[(3,4-dichlorophenyl)methyl]-N-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-4-phenoxybutanamide
CID 100702586
(2R)-2-[(2-chlorophenyl)methyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100676603
N-methyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132658805
(2R)-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100698581

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide (CID 100704329) is (2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of (2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is GARTUUXUZLYPKI-GOSISDBHSA-N. The full InChI is InChI=1S/C26H28Cl2N2O2/c1-17(2)29-26(32)18(3)30(16-19-11-13-23(27)24(28)15-19)25(31)14-12-21-9-6-8-20-7-4-5-10-22(20)21/h4-11,13,15,17-18H,12,14,16H2,1-3H3,(H,29,32)/t18-/m1/s1.
What are the key properties of (2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide?
(2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 471.43 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100704329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).