2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide

C27H23FN4O3 — CID 55913182

IUPAC2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)nc1)NC(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C27H23FN4O3/c28-21-12-14-23(15-13-21)35-24-16-11-19(17-29-24)18-30-27(34)32-25(20-7-3-1-4-8-20)26(33)31-22-9-5-2-6-10-22/h1-17,25H,18H2,(H,31,33)(H2,30,32,34)
InChIKeyWVLRVGAGMPDHLE-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.19
Rot. Bonds8

About 2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide

2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide (PubChem CID 55913182) has the molecular formula C27H23FN4O3 and a molecular weight of 470.50 g/mol. Its IUPAC name is 2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide.

Molecular Properties

Compound Name2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
PubChem CID55913182
Molecular FormulaC27H23FN4O3
Molecular Weight470.50 g/mol
Exact Mass470.18
IUPAC Name2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
SMILESO=C(NCc1ccc(Oc2ccc(F)cc2)nc1)NC(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C27H23FN4O3/c28-21-12-14-23(15-13-21)35-24-16-11-19(17-29-24)18-30-27(34)32-25(20-7-3-1-4-8-20)26(33)31-22-9-5-2-6-10-22/h1-17,25H,18H2,(H,31,33)(H2,30,32,34)
InChIKeyWVLRVGAGMPDHLE-UHFFFAOYSA-N
XLogP5.19
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide
CID 51957933
2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55911766
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 60610599
2-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide
CID 55912415
1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 52642916
1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847805
N-(2-anilino-2-oxo-1-phenylethyl)-3-(4-fluorophenyl)propanamide
CID 55779002
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78888482
(2S)-2-amino-N-[(6-phenoxy-3-pyridinyl)methyl]butanamide
CID 119872275
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232698
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
The IUPAC name of 2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide (CID 55913182) is 2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide.
What is the SMILES notation for 2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
The canonical SMILES for 2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide is O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)NC(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
The InChIKey is WVLRVGAGMPDHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3/c28-21-12-14-23(15-13-21)35-24-16-11-19(17-29-24)18-30-27(34)32-25(20-7-3-1-4-8-20)26(33)31-22-9-5-2-6-10-22/h1-17,25H,18H2,(H,31,33)(H2,30,32,34).
What are the key properties of 2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide?
2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide has a molecular weight of 470.50 g/mol, XLogP of 5.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluorophenoxy)-3-pyridinyl]methylcarbamoylamino]-N,2-diphenylacetamide is sourced from PubChem (CID 55913182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).