N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide

C23H28Cl2N2O2 — CID 132712866

IUPACN-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
SMILESCCCCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1
InChIInChI=1S/C23H28Cl2N2O2/c1-3-5-14-26-23(29)21(4-2)27(16-18-19(24)12-9-13-20(18)25)22(28)15-17-10-7-6-8-11-17/h6-13,21H,3-5,14-16H2,1-2H3,(H,26,29)
InChIKeyBEHKGRBDWUDWIM-UHFFFAOYSA-N
MW435.40 g/mol
LogP5.26
Rot. Bonds10

About N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide

N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide (PubChem CID 132712866) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
PubChem CID132712866
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC NameN-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
SMILESCCCCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1
InChIInChI=1S/C23H28Cl2N2O2/c1-3-5-14-26-23(29)21(4-2)27(16-18-19(24)12-9-13-20(18)25)22(28)15-17-10-7-6-8-11-17/h6-13,21H,3-5,14-16H2,1-2H3,(H,26,29)
InChIKeyBEHKGRBDWUDWIM-UHFFFAOYSA-N
XLogP5.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100697862
N-butyl-2-[3-(2-chlorophenyl)propanoyl-[(2,6-dichlorophenyl)methyl]amino]butanamide
CID 132986806
N-tert-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132712901
(2S)-2-[benzyl-[2-(2,6-dichlorophenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100585371
(2R)-N-[(2R)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 100735474
(2R)-2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100603825
(2S)-2-[(2,6-dichlorophenyl)methyl-[2-(4-fluorophenyl)acetyl]amino]-N-propylbutanamide
CID 100603806
(2S)-2-[[2-(3-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100603856
(2S)-N-butyl-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 100706250
N-butyl-2-[[2-(2-chloro-6-fluorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 133204493
(2R)-N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,6-dichlorophenyl)acetyl]amino]-3-phenylpropanamide
CID 100641892
(2S)-2-[(2,6-dichlorophenyl)methyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-propylbutanamide
CID 100604004

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide (CID 132712866) is N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide is CCCCNC(=O)C(CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1.
What is the InChIKey of N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide?
The InChIKey is BEHKGRBDWUDWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-3-5-14-26-23(29)21(4-2)27(16-18-19(24)12-9-13-20(18)25)22(28)15-17-10-7-6-8-11-17/h6-13,21H,3-5,14-16H2,1-2H3,(H,26,29).
What are the key properties of N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide?
N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide has a molecular weight of 435.40 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(2,6-dichlorophenyl)methyl-(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 132712866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).