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

C17H15FN4O3 — CID 49277736

IUPAC2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESN#CCOc1ccc(NC(=O)NCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN4O3/c18-12-1-3-13(4-2-12)21-16(23)11-20-17(24)22-14-5-7-15(8-6-14)25-10-9-19/h1-8H,10-11H2,(H,21,23)(H2,20,22,24)
InChIKeyYNNXQYCKTWPSCQ-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.49
Rot. Bonds6

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

2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 49277736) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
PubChem CID49277736
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESN#CCOc1ccc(NC(=O)NCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H15FN4O3/c18-12-1-3-13(4-2-12)21-16(23)11-20-17(24)22-14-5-7-15(8-6-14)25-10-9-19/h1-8H,10-11H2,(H,21,23)(H2,20,22,24)
InChIKeyYNNXQYCKTWPSCQ-UHFFFAOYSA-N
XLogP2.49
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-cyanophenoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 49280558
N-[4-(cyanomethoxy)phenyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 26114278
2-bromo-N-[4-(cyanomethoxy)phenyl]acetamide
CID 63679924
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
N-[4-(cyanomethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 61248513
2-(azetidin-3-yl)-N-[4-(cyanomethoxy)phenyl]acetamide
CID 64610182
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18160151
N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
CID 115659773
2-[4-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]acetonitrile
CID 9211930
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
1-[3-(cyanomethoxy)phenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 51116764

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide (CID 49277736) is 2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide is N#CCOc1ccc(NC(=O)NCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is YNNXQYCKTWPSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c18-12-1-3-13(4-2-12)21-16(23)11-20-17(24)22-14-5-7-15(8-6-14)25-10-9-19/h1-8H,10-11H2,(H,21,23)(H2,20,22,24).
What are the key properties of 2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide?
2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 342.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyanomethoxy)phenyl]carbamoylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 49277736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).