N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide

C33H41Cl2NO2 — CID 42702978

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C33H41Cl2NO2/c1-2-3-4-5-6-7-8-9-13-19-33(37)36(23-22-28-20-21-29(34)25-32(28)35)26-27-15-14-18-31(24-27)38-30-16-11-10-12-17-30/h10-12,14-18,20-21,24-25H,2-9,13,19,22-23,26H2,1H3
InChIKeyWFGIUJMCICKQST-UHFFFAOYSA-N
MW554.60 g/mol
LogP10.28
Rot. Bonds17

About N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide (PubChem CID 42702978) has the molecular formula C33H41Cl2NO2 and a molecular weight of 554.60 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide
PubChem CID42702978
Molecular FormulaC33H41Cl2NO2
Molecular Weight554.60 g/mol
Exact Mass553.25
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C33H41Cl2NO2/c1-2-3-4-5-6-7-8-9-13-19-33(37)36(23-22-28-20-21-29(34)25-32(28)35)26-27-15-14-18-31(24-27)38-30-16-11-10-12-17-30/h10-12,14-18,20-21,24-25H,2-9,13,19,22-23,26H2,1H3
InChIKeyWFGIUJMCICKQST-UHFFFAOYSA-N
XLogP10.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.60
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide
CID 42709412
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide
CID 42709118
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-methoxyphenyl)methyl]pentanamide
CID 42709089
N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
N-[(3-phenoxyphenyl)methyl]-N-(1-phenylethyl)hexanamide
CID 42702967
N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide
CID 42706224
N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide
CID 42725504
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
ethyl 4-[2-(2,4-dichlorophenyl)ethyl-[(3,4-dimethoxyphenyl)methyl]amino]-4-oxobutanoate
CID 42709217
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide (CID 42702978) is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide is CCCCCCCCCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide?
The InChIKey is WFGIUJMCICKQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41Cl2NO2/c1-2-3-4-5-6-7-8-9-13-19-33(37)36(23-22-28-20-21-29(34)25-32(28)35)26-27-15-14-18-31(24-27)38-30-16-11-10-12-17-30/h10-12,14-18,20-21,24-25H,2-9,13,19,22-23,26H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide has a molecular weight of 554.60 g/mol, XLogP of 10.28, 17 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]-N-[(3-phenoxyphenyl)methyl]dodecanamide is sourced from PubChem (CID 42702978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).