2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide

C24H18Cl2FN5O2 — CID 52942281

IUPAC2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(-n2nc(-c3ccccc3F)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C24H18Cl2FN5O2/c25-17-8-4-10-19(23(17)26)29-24(34)30-22-13-20(16-7-1-2-9-18(16)27)31-32(22)15-6-3-5-14(11-15)12-21(28)33/h1-11,13H,12H2,(H2,28,33)(H2,29,30,34)
InChIKeyCOUYOVKEAITHBW-UHFFFAOYSA-N
MW498.35 g/mol
LogP5.66
Rot. Bonds6

About 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide

2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide (PubChem CID 52942281) has the molecular formula C24H18Cl2FN5O2 and a molecular weight of 498.35 g/mol. Its IUPAC name is 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide
PubChem CID52942281
Molecular FormulaC24H18Cl2FN5O2
Molecular Weight498.35 g/mol
Exact Mass497.08
IUPAC Name2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide
SMILESNC(=O)Cc1cccc(-n2nc(-c3ccccc3F)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C24H18Cl2FN5O2/c25-17-8-4-10-19(23(17)26)29-24(34)30-22-13-20(16-7-1-2-9-18(16)27)31-32(22)15-6-3-5-14(11-15)12-21(28)33/h1-11,13H,12H2,(H2,28,33)(H2,29,30,34)
InChIKeyCOUYOVKEAITHBW-UHFFFAOYSA-N
XLogP5.66
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.35
LogP ≤ 55.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide?
The IUPAC name of 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide (CID 52942281) is 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide?
The canonical SMILES for 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide is NC(=O)Cc1cccc(-n2nc(-c3ccccc3F)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide?
The InChIKey is COUYOVKEAITHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2FN5O2/c25-17-8-4-10-19(23(17)26)29-24(34)30-22-13-20(16-7-1-2-9-18(16)27)31-32(22)15-6-3-5-14(11-15)12-21(28)33/h1-11,13H,12H2,(H2,28,33)(H2,29,30,34).
What are the key properties of 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide?
2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide has a molecular weight of 498.35 g/mol, XLogP of 5.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[(2,3-dichlorophenyl)carbamoylamino]-3-(2-fluorophenyl)pyrazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 52942281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).