2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide

C22H17FN4O3 — CID 49280558

IUPAC2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)NCC(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H17FN4O3/c23-16-3-5-17(6-4-16)26-21(28)14-25-22(29)27-18-7-11-20(12-8-18)30-19-9-1-15(13-24)2-10-19/h1-12H,14H2,(H,26,28)(H2,25,27,29)
InChIKeyNCPOBDACVFTLFM-UHFFFAOYSA-N
MW404.40 g/mol
LogP4.25
Rot. Bonds6

About 2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide

2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 49280558) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is 2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
PubChem CID49280558
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Name2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESN#Cc1ccc(Oc2ccc(NC(=O)NCC(=O)Nc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C22H17FN4O3/c23-16-3-5-17(6-4-16)26-21(28)14-25-22(29)27-18-7-11-20(12-8-18)30-19-9-1-15(13-24)2-10-19/h1-12H,14H2,(H,26,28)(H2,25,27,29)
InChIKeyNCPOBDACVFTLFM-UHFFFAOYSA-N
XLogP4.25
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49277736
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 60591596
1-(4-cyanophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214424
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113002054
[2-(4-cyanoanilino)-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878238
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 42766016
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-3-[4-(4-cyanophenoxy)phenyl]urea
CID 71247406
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide (CID 49280558) is 2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide is N#Cc1ccc(Oc2ccc(NC(=O)NCC(=O)Nc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is NCPOBDACVFTLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c23-16-3-5-17(6-4-16)26-21(28)14-25-22(29)27-18-7-11-20(12-8-18)30-19-9-1-15(13-24)2-10-19/h1-12H,14H2,(H,26,28)(H2,25,27,29).
What are the key properties of 2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 404.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 49280558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).