2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide

C25H25ClN2O3 — CID 43820821

IUPAC2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(Cc2ccc(Cl)cc2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H25ClN2O3/c1-18(25(30)27-22-12-14-23(31-2)15-13-22)28(17-20-8-10-21(26)11-9-20)24(29)16-19-6-4-3-5-7-19/h3-15,18H,16-17H2,1-2H3,(H,27,30)
InChIKeyJQYXYFHZUVKVST-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.95
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide

2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide (PubChem CID 43820821) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide
PubChem CID43820821
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N(Cc2ccc(Cl)cc2)C(=O)Cc2ccccc2)cc1
InChIInChI=1S/C25H25ClN2O3/c1-18(25(30)27-22-12-14-23(31-2)15-13-22)28(17-20-8-10-21(26)11-9-20)24(29)16-19-6-4-3-5-7-19/h3-15,18H,16-17H2,1-2H3,(H,27,30)
InChIKeyJQYXYFHZUVKVST-UHFFFAOYSA-N
XLogP4.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 43820968
(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100565411
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-hydroxyethyl)propanamide
CID 133213649
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-(2-methoxyethyl)propanamide
CID 133213651
N-(4-methoxyphenyl)-2-(4-methylphenyl)-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]acetamide
CID 43820764
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-(4-methylphenyl)acetamide
CID 43820811
2-[[2-(4-chlorophenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]propanamide
CID 133213654
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-2-[(2-phenylacetyl)-(pyridin-3-ylmethyl)amino]acetamide
CID 43820847
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-propylpropanamide
CID 132656046
2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-propylpropanamide
CID 132656017
(2S)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100520058
(2S)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100558894

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide (CID 43820821) is 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)N(Cc2ccc(Cl)cc2)C(=O)Cc2ccccc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is JQYXYFHZUVKVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-18(25(30)27-22-12-14-23(31-2)15-13-22)28(17-20-8-10-21(26)11-9-20)24(29)16-19-6-4-3-5-7-19/h3-15,18H,16-17H2,1-2H3,(H,27,30).
What are the key properties of 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide?
2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 436.94 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 43820821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).