N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide

C21H24Cl2FNO — CID 42709412

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide
SMILESCCCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccc1F
InChIInChI=1S/C21H24Cl2FNO/c1-2-3-4-9-21(26)25(15-17-7-5-6-8-20(17)24)13-12-16-10-11-18(22)14-19(16)23/h5-8,10-11,14H,2-4,9,12-13,15H2,1H3
InChIKeyGJVLSRLHXYFJRQ-UHFFFAOYSA-N
MW396.33 g/mol
LogP6.28
Rot. Bonds9

About N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide (PubChem CID 42709412) has the molecular formula C21H24Cl2FNO and a molecular weight of 396.33 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide
PubChem CID42709412
Molecular FormulaC21H24Cl2FNO
Molecular Weight396.33 g/mol
Exact Mass395.12
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide
SMILESCCCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccc1F
InChIInChI=1S/C21H24Cl2FNO/c1-2-3-4-9-21(26)25(15-17-7-5-6-8-20(17)24)13-12-16-10-11-18(22)14-19(16)23/h5-8,10-11,14H,2-4,9,12-13,15H2,1H3
InChIKeyGJVLSRLHXYFJRQ-UHFFFAOYSA-N
XLogP6.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.33
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methoxyphenyl)methyl]pentanamide
CID 42709089
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide
CID 42702978
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide
CID 42709118
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 42709415
2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
CID 39347931
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 42709410
N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide
CID 42706224
3-(2,4-dichlorophenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771344
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
N-butyl-N-[(2-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 50955019
1-(2-fluorophenyl)octan-2-one
CID 62620630
N-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-3-phenylpropanamide
CID 133206988

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide (CID 42709412) is N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide is CCCCCC(=O)N(CCc1ccc(Cl)cc1Cl)Cc1ccccc1F.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide?
The InChIKey is GJVLSRLHXYFJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2FNO/c1-2-3-4-9-21(26)25(15-17-7-5-6-8-20(17)24)13-12-16-10-11-18(22)14-19(16)23/h5-8,10-11,14H,2-4,9,12-13,15H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide has a molecular weight of 396.33 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]hexanamide is sourced from PubChem (CID 42709412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).