N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide

C18H19ClFN3O3 — CID 47064189

IUPACN-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide
SMILESCN(C)C(=O)COc1cccc(NCC(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C18H19ClFN3O3/c1-23(2)18(25)11-26-14-5-3-4-13(9-14)21-10-17(24)22-16-8-12(19)6-7-15(16)20/h3-9,21H,10-11H2,1-2H3,(H,22,24)
InChIKeyVTCPJBLCCORJKB-UHFFFAOYSA-N
MW379.82 g/mol
LogP3.00
Rot. Bonds7

About N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide

N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide (PubChem CID 47064189) has the molecular formula C18H19ClFN3O3 and a molecular weight of 379.82 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide
PubChem CID47064189
Molecular FormulaC18H19ClFN3O3
Molecular Weight379.82 g/mol
Exact Mass379.11
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide
SMILESCN(C)C(=O)COc1cccc(NCC(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C18H19ClFN3O3/c1-23(2)18(25)11-26-14-5-3-4-13(9-14)21-10-17(24)22-16-8-12(19)6-7-15(16)20/h3-9,21H,10-11H2,1-2H3,(H,22,24)
InChIKeyVTCPJBLCCORJKB-UHFFFAOYSA-N
XLogP3.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetate
CID 52704348
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119713905
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide
CID 51183160
N-(5-chloro-2-fluorophenyl)-2-(3-nitroanilino)acetamide
CID 17419612
2-(3-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964606
N-(2-chlorophenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825963
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
N-(5-chloro-2-fluorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2554397

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide (CID 47064189) is N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide is CN(C)C(=O)COc1cccc(NCC(=O)Nc2cc(Cl)ccc2F)c1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide?
The InChIKey is VTCPJBLCCORJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O3/c1-23(2)18(25)11-26-14-5-3-4-13(9-14)21-10-17(24)22-16-8-12(19)6-7-15(16)20/h3-9,21H,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide?
N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide has a molecular weight of 379.82 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[3-[2-(dimethylamino)-2-oxoethoxy]anilino]acetamide is sourced from PubChem (CID 47064189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).