3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide

C19H13Cl2FN4O3 — CID 67111137

IUPAC3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C19H13Cl2FN4O3/c20-10-3-5-12(21)15(8-10)26-19(28)25-14-6-4-11(9-13(14)22)29-16-2-1-7-24-17(16)18(23)27/h1-9H,(H2,23,27)(H2,25,26,28)
InChIKeyHEKMWVPRXQQJJM-UHFFFAOYSA-N
MW435.24 g/mol
LogP5.06
Rot. Bonds5

About 3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide

3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide (PubChem CID 67111137) has the molecular formula C19H13Cl2FN4O3 and a molecular weight of 435.24 g/mol. Its IUPAC name is 3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide
PubChem CID67111137
Molecular FormulaC19H13Cl2FN4O3
Molecular Weight435.24 g/mol
Exact Mass434.03
IUPAC Name3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)c(F)c1
InChIInChI=1S/C19H13Cl2FN4O3/c20-10-3-5-12(21)15(8-10)26-19(28)25-14-6-4-11(9-13(14)22)29-16-2-1-7-24-17(16)18(23)27/h1-9H,(H2,23,27)(H2,25,26,28)
InChIKeyHEKMWVPRXQQJJM-UHFFFAOYSA-N
XLogP5.06
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.24
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide?
The IUPAC name of 3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide (CID 67111137) is 3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide is NC(=O)c1ncccc1Oc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)c(F)c1.
What is the InChIKey of 3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide?
The InChIKey is HEKMWVPRXQQJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN4O3/c20-10-3-5-12(21)15(8-10)26-19(28)25-14-6-4-11(9-13(14)22)29-16-2-1-7-24-17(16)18(23)27/h1-9H,(H2,23,27)(H2,25,26,28).
What are the key properties of 3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide?
3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide has a molecular weight of 435.24 g/mol, XLogP of 5.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,5-dichlorophenyl)carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 67111137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).