N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide

C27H28F2N4O4 — CID 70891915

IUPACN-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide
SMILESO=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(OC2=CC=NCC2NC(=O)C2CCCCC2)c(F)c1
InChIInChI=1S/C27H28F2N4O4/c28-19-8-6-17(7-9-19)14-25(34)33-27(36)31-20-10-11-23(21(29)15-20)37-24-12-13-30-16-22(24)32-26(35)18-4-2-1-3-5-18/h6-13,15,18,22H,1-5,14,16H2,(H,32,35)(H2,31,33,34,36)
InChIKeyURWVOFOVKGFQPW-UHFFFAOYSA-N
MW510.54 g/mol
LogP4.27
Rot. Bonds7

About N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide

N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide (PubChem CID 70891915) has the molecular formula C27H28F2N4O4 and a molecular weight of 510.54 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide
PubChem CID70891915
Molecular FormulaC27H28F2N4O4
Molecular Weight510.54 g/mol
Exact Mass510.21
IUPAC NameN-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide
SMILESO=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(OC2=CC=NCC2NC(=O)C2CCCCC2)c(F)c1
InChIInChI=1S/C27H28F2N4O4/c28-19-8-6-17(7-9-19)14-25(34)33-27(36)31-20-10-11-23(21(29)15-20)37-24-12-13-30-16-22(24)32-26(35)18-4-2-1-3-5-18/h6-13,15,18,22H,1-5,14,16H2,(H,32,35)(H2,31,33,34,36)
InChIKeyURWVOFOVKGFQPW-UHFFFAOYSA-N
XLogP4.27
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.54
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide (CID 70891915) is N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide is O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(OC2=CC=NCC2NC(=O)C2CCCCC2)c(F)c1.
What is the InChIKey of N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide?
The InChIKey is URWVOFOVKGFQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O4/c28-19-8-6-17(7-9-19)14-25(34)33-27(36)31-20-10-11-23(21(29)15-20)37-24-12-13-30-16-22(24)32-26(35)18-4-2-1-3-5-18/h6-13,15,18,22H,1-5,14,16H2,(H,32,35)(H2,31,33,34,36).
What are the key properties of N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide?
N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide has a molecular weight of 510.54 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2,3-dihydropyridin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 70891915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).