2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

C19H21ClFN3O3 — CID 9025809

IUPAC2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-14-5-4-6-15(10-14)27-2)12-19(26)23-17-9-13(20)7-8-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQJMMBEUZXQRCPH-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.39
Rot. Bonds8

About 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide

2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (PubChem CID 9025809) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
PubChem CID9025809
Molecular FormulaC19H21ClFN3O3
Molecular Weight393.85 g/mol
Exact Mass393.13
IUPAC Name2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-14-5-4-6-15(10-14)27-2)12-19(26)23-17-9-13(20)7-8-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQJMMBEUZXQRCPH-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

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Related Compounds

[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethyl-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9025808
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779826
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
N-cyclopropyl-2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 34434295
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029512
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 78831827
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide (CID 9025809) is 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)CC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is QJMMBEUZXQRCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3/c1-3-24(11-18(25)22-14-5-4-6-15(10-14)27-2)12-19(26)23-17-9-13(20)7-8-16(17)21/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide?
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)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 2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 9025809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).