1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea

C19H20Cl2F2N4O2 — CID 142632468

IUPAC1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea
SMILESCC(C)CC(NC(=O)Nc1c(F)cccc1F)C(=O)NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2F2N4O2/c1-10(2)8-16(18(28)27-26-15-7-6-11(20)9-12(15)21)24-19(29)25-17-13(22)4-3-5-14(17)23/h3-7,9-10,16,26H,8H2,1-2H3,(H,27,28)(H2,24,25,29)
InChIKeyZGFZYCCDGLIWDU-UHFFFAOYSA-N
MW445.30 g/mol
LogP4.95
Rot. Bonds7

About 1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea

1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea (PubChem CID 142632468) has the molecular formula C19H20Cl2F2N4O2 and a molecular weight of 445.30 g/mol. Its IUPAC name is 1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea
PubChem CID142632468
Molecular FormulaC19H20Cl2F2N4O2
Molecular Weight445.30 g/mol
Exact Mass444.09
IUPAC Name1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea
SMILESCC(C)CC(NC(=O)Nc1c(F)cccc1F)C(=O)NNc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2F2N4O2/c1-10(2)8-16(18(28)27-26-15-7-6-11(20)9-12(15)21)24-19(29)25-17-13(22)4-3-5-14(17)23/h3-7,9-10,16,26H,8H2,1-2H3,(H,27,28)(H2,24,25,29)
InChIKeyZGFZYCCDGLIWDU-UHFFFAOYSA-N
XLogP4.95
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]propanamide
CID 142632465
1-cyclohexyl-3-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]urea
CID 142632462
N-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 142632464
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
CID 108896387
(2S)-2-[(2-chloro-4-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61195183
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 83074350
(2R)-2-[(2,6-difluoro-3-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82802514
N-(2,4-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 78822630
potassium 2-[(2,4-dichlorophenyl)carbamoylamino]-3-(4-fluoro-1H-indol-3-yl)propanoate
CID 146076622
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 28509571
(2S)-2-[(2-fluoro-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 61196510
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea?
The IUPAC name of 1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea (CID 142632468) is 1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea.
What is the SMILES notation for 1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea?
The canonical SMILES for 1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea is CC(C)CC(NC(=O)Nc1c(F)cccc1F)C(=O)NNc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea?
The InChIKey is ZGFZYCCDGLIWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2F2N4O2/c1-10(2)8-16(18(28)27-26-15-7-6-11(20)9-12(15)21)24-19(29)25-17-13(22)4-3-5-14(17)23/h3-7,9-10,16,26H,8H2,1-2H3,(H,27,28)(H2,24,25,29).
What are the key properties of 1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea?
1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea has a molecular weight of 445.30 g/mol, XLogP of 4.95, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,4-dichlorophenyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]-3-(2,6-difluorophenyl)urea is sourced from PubChem (CID 142632468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).