1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea

C14H13F2N5O2 — CID 25497888

IUPAC1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea
SMILESCN(Cc1ccc(F)cc1F)C(=O)NNC(=O)c1cnccn1
InChIInChI=1S/C14H13F2N5O2/c1-21(8-9-2-3-10(15)6-11(9)16)14(23)20-19-13(22)12-7-17-4-5-18-12/h2-7H,8H2,1H3,(H,19,22)(H,20,23)
InChIKeyGPXCAVMXAYOQCI-UHFFFAOYSA-N
MW321.29 g/mol
LogP1.24
Rot. Bonds3

About 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea

1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea (PubChem CID 25497888) has the molecular formula C14H13F2N5O2 and a molecular weight of 321.29 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea
PubChem CID25497888
Molecular FormulaC14H13F2N5O2
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea
SMILESCN(Cc1ccc(F)cc1F)C(=O)NNC(=O)c1cnccn1
InChIInChI=1S/C14H13F2N5O2/c1-21(8-9-2-3-10(15)6-11(9)16)14(23)20-19-13(22)12-7-17-4-5-18-12/h2-7H,8H2,1H3,(H,19,22)(H,20,23)
InChIKeyGPXCAVMXAYOQCI-UHFFFAOYSA-N
XLogP1.24
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 110795606
N-[(2,4-difluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 134046590
N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 27797325
1-[(2,4-difluorophenyl)methyl]-3-(2-fluorophenyl)-1-methylurea
CID 24664813
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 113221540
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
1-[(5-bromo-2-fluorophenyl)methyl]-3-[(4-fluorobenzoyl)amino]-1-methylurea
CID 86867232
1-[(2,4-difluorophenyl)methyl]-3-(4-methoxyphenyl)-1-methylurea
CID 32528960
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-phenylsulfanylpyridine-3-carboxamide
CID 24660756

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea (CID 25497888) is 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea is CN(Cc1ccc(F)cc1F)C(=O)NNC(=O)c1cnccn1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea?
The InChIKey is GPXCAVMXAYOQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O2/c1-21(8-9-2-3-10(15)6-11(9)16)14(23)20-19-13(22)12-7-17-4-5-18-12/h2-7H,8H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea?
1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea has a molecular weight of 321.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-1-methyl-3-(pyrazine-2-carbonylamino)urea is sourced from PubChem (CID 25497888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).