1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea

C20H14Cl2F3N3O2 — CID 1478530

IUPAC1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C20H14Cl2F3N3O2/c21-15-7-6-12(9-16(15)22)11-28-8-2-5-17(18(28)29)27-19(30)26-14-4-1-3-13(10-14)20(23,24)25/h1-10H,11H2,(H2,26,27,30)
InChIKeyGWFMCCLBCVDCIE-UHFFFAOYSA-N
MW456.25 g/mol
LogP5.87
Rot. Bonds4

About 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 1478530) has the molecular formula C20H14Cl2F3N3O2 and a molecular weight of 456.25 g/mol. Its IUPAC name is 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID1478530
Molecular FormulaC20H14Cl2F3N3O2
Molecular Weight456.25 g/mol
Exact Mass455.04
IUPAC Name1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(C(F)(F)F)c1)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C20H14Cl2F3N3O2/c21-15-7-6-12(9-16(15)22)11-28-8-2-5-17(18(28)29)27-19(30)26-14-4-1-3-13(10-14)20(23,24)25/h1-10H,11H2,(H2,26,27,30)
InChIKeyGWFMCCLBCVDCIE-UHFFFAOYSA-N
XLogP5.87
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.25
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]acetamide
CID 1483036
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
1-(3-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 52947148
1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 1450101
1-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19407497
1-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19447957
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19447776
1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-prop-2-enylthiourea
CID 3783826
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
N-(4-acetamidophenyl)-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843705
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-[(3-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 8670922

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 1478530) is 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is GWFMCCLBCVDCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F3N3O2/c21-15-7-6-12(9-16(15)22)11-28-8-2-5-17(18(28)29)27-19(30)26-14-4-1-3-13(10-14)20(23,24)25/h1-10H,11H2,(H2,26,27,30).
What are the key properties of 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 456.25 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 1478530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).