N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide

C24H24Cl2N2O — CID 42709442

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCCC(C(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccn1)c1ccccc1
InChIInChI=1S/C24H24Cl2N2O/c1-2-22(18-8-4-3-5-9-18)24(29)28(17-21-10-6-7-14-27-21)15-13-19-11-12-20(25)16-23(19)26/h3-12,14,16,22H,2,13,15,17H2,1H3
InChIKeyATSZGAQQKLMJAU-UHFFFAOYSA-N
MW427.38 g/mol
LogP6.15
Rot. Bonds8

About N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 42709442) has the molecular formula C24H24Cl2N2O and a molecular weight of 427.38 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide
PubChem CID42709442
Molecular FormulaC24H24Cl2N2O
Molecular Weight427.38 g/mol
Exact Mass426.13
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide
SMILESCCC(C(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccn1)c1ccccc1
InChIInChI=1S/C24H24Cl2N2O/c1-2-22(18-8-4-3-5-9-18)24(29)28(17-21-10-6-7-14-27-21)15-13-19-11-12-20(25)16-23(19)26/h3-12,14,16,22H,2,13,15,17H2,1H3
InChIKeyATSZGAQQKLMJAU-UHFFFAOYSA-N
XLogP6.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide
CID 42709041
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea
CID 42709458
2-(2,4-dichlorophenoxy)-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 56764008
2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 42657339
N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 42696835
2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 43565135
2,4-dichloro-N-(2-cyanoethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 56825636
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618
N-(2-amino-2-oxoethyl)-2-[4-[2-(2,4-dichlorophenyl)ethyl]-1-(3,3-diphenylpropyl)-3,6-dioxopiperazin-2-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 68753585

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide (CID 42709442) is N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide is CCC(C(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccn1)c1ccccc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is ATSZGAQQKLMJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O/c1-2-22(18-8-4-3-5-9-18)24(29)28(17-21-10-6-7-14-27-21)15-13-19-11-12-20(25)16-23(19)26/h3-12,14,16,22H,2,13,15,17H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 427.38 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 42709442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).