N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide

C19H20Cl2FN3O2 — CID 55457102

IUPACN-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H20Cl2FN3O2/c1-2-25(12-17(26)24-18-15(20)4-3-5-16(18)21)19(27)23-11-10-13-6-8-14(22)9-7-13/h3-9H,2,10-12H2,1H3,(H,23,27)(H,24,26)
InChIKeyHZJSOSHBKZXWSJ-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.35
Rot. Bonds7

About N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide (PubChem CID 55457102) has the molecular formula C19H20Cl2FN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide
PubChem CID55457102
Molecular FormulaC19H20Cl2FN3O2
Molecular Weight412.29 g/mol
Exact Mass411.09
IUPAC NameN-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C19H20Cl2FN3O2/c1-2-25(12-17(26)24-18-15(20)4-3-5-16(18)21)19(27)23-11-10-13-6-8-14(22)9-7-13/h3-9H,2,10-12H2,1H3,(H,23,27)(H,24,26)
InChIKeyHZJSOSHBKZXWSJ-UHFFFAOYSA-N
XLogP4.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-fluorobenzamide
CID 34169732
N-[2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 25315753
N-(2,6-dichlorophenyl)-3-[2-(4-fluorophenyl)ethylamino]propanamide
CID 109025214
2-(4-chlorophenyl)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylacetamide
CID 25314063
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-(2-pyridin-4-ylethyl)urea
CID 108902141
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethylbenzamide
CID 25313738
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9037832
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-phenoxybenzamide
CID 25313751
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-4-oxo-4-(4-propylphenyl)butanamide
CID 42576438
3-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854086
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-3-(2-fluorophenyl)propanamide
CID 31713224

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide (CID 55457102) is N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide is CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide?
The InChIKey is HZJSOSHBKZXWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2FN3O2/c1-2-25(12-17(26)24-18-15(20)4-3-5-16(18)21)19(27)23-11-10-13-6-8-14(22)9-7-13/h3-9H,2,10-12H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide has a molecular weight of 412.29 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]acetamide is sourced from PubChem (CID 55457102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).