N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide

C19H21ClFN3O3 — CID 9029512

IUPACN-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(F)c(Cl)c1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-13-8-9-15(21)14(20)10-13)12-19(26)23-16-6-4-5-7-17(16)27-2/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyASERNRNWSCGTBD-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.39
Rot. Bonds8

About N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide (PubChem CID 9029512) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
PubChem CID9029512
Molecular FormulaC19H21ClFN3O3
Molecular Weight393.85 g/mol
Exact Mass393.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(F)c(Cl)c1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-13-8-9-15(21)14(20)10-13)12-19(26)23-16-6-4-5-7-17(16)27-2/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyASERNRNWSCGTBD-UHFFFAOYSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide with MolForge

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Related Compounds

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
N-(3-acetylphenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18078727
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025809
2-[2-(2,5-dichlorophenyl)sulfonylethyl-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 27219471
methyl 2-[benzyl-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]acetate
CID 55819309
propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
CID 9029476
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61013224
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(2-methoxyphenyl)acetamide
CID 53281272
2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 46561149
2,4-dichloro-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 38794518

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide (CID 9029512) is N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide is CCN(CC(=O)Nc1ccc(F)c(Cl)c1)CC(=O)Nc1ccccc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is ASERNRNWSCGTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-13-8-9-15(21)14(20)10-13)12-19(26)23-16-6-4-5-7-17(16)27-2/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 393.85 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9029512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).