N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide

C20H22ClFN4O3 — CID 8779826

IUPACN-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C20H22ClFN4O3/c1-3-26(12-20(29)25-18-10-14(21)4-9-17(18)22)11-19(28)24-16-7-5-15(6-8-16)23-13(2)27/h4-10H,3,11-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeySRGMMZXDNSRCOV-UHFFFAOYSA-N
MW420.87 g/mol
LogP3.34
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide

N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide (PubChem CID 8779826) has the molecular formula C20H22ClFN4O3 and a molecular weight of 420.87 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide
PubChem CID8779826
Molecular FormulaC20H22ClFN4O3
Molecular Weight420.87 g/mol
Exact Mass420.14
IUPAC NameN-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C20H22ClFN4O3/c1-3-26(12-20(29)25-18-10-14(21)4-9-17(18)22)11-19(28)24-16-7-5-15(6-8-16)23-13(2)27/h4-10H,3,11-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeySRGMMZXDNSRCOV-UHFFFAOYSA-N
XLogP3.34
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9025809
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8779934
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-N-(3-fluorophenyl)acetamide
CID 8780475
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27199750
2-[[2-(2-amino-5-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101401
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 46508552
N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029512
N-(4-chloro-2-methylphenyl)-2-[ethyl(2-methylprop-2-enyl)amino]acetamide
CID 86976734
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide (CID 8779826) is N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide?
The InChIKey is SRGMMZXDNSRCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O3/c1-3-26(12-20(29)25-18-10-14(21)4-9-17(18)22)11-19(28)24-16-7-5-15(6-8-16)23-13(2)27/h4-10H,3,11-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide?
N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide has a molecular weight of 420.87 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide is sourced from PubChem (CID 8779826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).