3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide

C19H14ClFN4O3 — CID 87273459

IUPAC3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C19H14ClFN4O3/c20-11-3-8-14(21)15(10-11)25-19(27)24-12-4-6-13(7-5-12)28-16-2-1-9-23-17(16)18(22)26/h1-10H,(H2,22,26)(H2,24,25,27)
InChIKeyFUTKMAODLVPHSI-UHFFFAOYSA-N
MW400.80 g/mol
LogP4.41
Rot. Bonds5

About 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide

3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 87273459) has the molecular formula C19H14ClFN4O3 and a molecular weight of 400.80 g/mol. Its IUPAC name is 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID87273459
Molecular FormulaC19H14ClFN4O3
Molecular Weight400.80 g/mol
Exact Mass400.07
IUPAC Name3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C19H14ClFN4O3/c20-11-3-8-14(21)15(10-11)25-19(27)24-12-4-6-13(7-5-12)28-16-2-1-9-23-17(16)18(22)26/h1-10H,(H2,22,26)(H2,24,25,27)
InChIKeyFUTKMAODLVPHSI-UHFFFAOYSA-N
XLogP4.41
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.80
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 87273459) is 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide is NC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2F)cc1.
What is the InChIKey of 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is FUTKMAODLVPHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O3/c20-11-3-8-14(21)15(10-11)25-19(27)24-12-4-6-13(7-5-12)28-16-2-1-9-23-17(16)18(22)26/h1-10H,(H2,22,26)(H2,24,25,27).
What are the key properties of 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide?
3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 400.80 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-chloro-2-fluorophenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 87273459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).