N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide

C14H19Cl2FN2O — CID 112799664

IUPACN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2FN2O/c1-4-19(5-2)8-14(20)18-9(3)10-6-13(17)12(16)7-11(10)15/h6-7,9H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyINWUYPZHXJMDEA-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.65
Rot. Bonds6

About N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide

N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide (PubChem CID 112799664) has the molecular formula C14H19Cl2FN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide
PubChem CID112799664
Molecular FormulaC14H19Cl2FN2O
Molecular Weight321.22 g/mol
Exact Mass320.09
IUPAC NameN-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)NC(C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2FN2O/c1-4-19(5-2)8-14(20)18-9(3)10-6-13(17)12(16)7-11(10)15/h6-7,9H,4-5,8H2,1-3H3,(H,18,20)
InChIKeyINWUYPZHXJMDEA-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]heptanamide;hydrochloride
CID 119686390
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686394
1-butyl-3-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-methylurea
CID 112831917
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 8795213
N-[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9232204
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8639848
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 9377861
2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-N-ethylpropanamide
CID 43226363
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-ethyl-3-methyl-1,2-oxazole-4-carboxamide
CID 112764288
tert-butyl N-[4-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-4-oxobutyl]carbamate
CID 9187263
1-(cyclopropylmethyl)-3-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-propylurea
CID 112831924
3-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1,1-bis(furan-2-ylmethyl)urea
CID 112831926

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide?
The IUPAC name of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide (CID 112799664) is N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)NC(C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide?
The InChIKey is INWUYPZHXJMDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2FN2O/c1-4-19(5-2)8-14(20)18-9(3)10-6-13(17)12(16)7-11(10)15/h6-7,9H,4-5,8H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide?
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide has a molecular weight of 321.22 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-2-(diethylamino)acetamide is sourced from PubChem (CID 112799664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).