2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide

C19H21ClFN3O3 — CID 4787609

IUPAC2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H21ClFN3O3/c1-24(11-18(25)22-10-13-3-6-15(21)7-4-13)12-19(26)23-16-9-14(20)5-8-17(16)27-2/h3-9H,10-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQXZRFYLOAUGUSI-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.67
Rot. Bonds8

About 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4787609) has the molecular formula C19H21ClFN3O3 and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4787609
Molecular FormulaC19H21ClFN3O3
Molecular Weight393.85 g/mol
Exact Mass393.13
IUPAC Name2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H21ClFN3O3/c1-24(11-18(25)22-10-13-3-6-15(21)7-4-13)12-19(26)23-16-9-14(20)5-8-17(16)27-2/h3-9H,10-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQXZRFYLOAUGUSI-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

BX-471 free base
CID 512282
Bx 471
CID 5311124
N-(5-chloro-2-methoxyphenyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2947640
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
1-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)-3-(2-aminoethyl)urea
CID 12112109
3-(5-Chloro-2-methoxyanilino)-1-(4-fluorophenyl)-1-propanol
CID 4304234
4-{2-[4-(5-Chloro-2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10928520
3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-phenyl-acrylamide; oxalic acid
CID 11731962
3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 11761412
N-(5-chloro-2-methoxyphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 2225448
N-(5-chloro-2-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 2440804

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 4787609) is 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is QXZRFYLOAUGUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O3/c1-24(11-18(25)22-10-13-3-6-15(21)7-4-13)12-19(26)23-16-9-14(20)5-8-17(16)27-2/h3-9H,10-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 393.85 g/mol, XLogP of 2.67, 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-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 4787609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).