1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea

C14H14ClFN4O2 — CID 167924121

IUPAC1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea
SMILESCOc1cc(F)ccc1CNC(=O)NCc1cnc(Cl)cn1
InChIInChI=1S/C14H14ClFN4O2/c1-22-12-4-10(16)3-2-9(12)5-19-14(21)20-7-11-6-18-13(15)8-17-11/h2-4,6,8H,5,7H2,1H3,(H2,19,20,21)
InChIKeyLZYXYPAXBDEGCP-UHFFFAOYSA-N
MW324.74 g/mol
LogP2.28
Rot. Bonds5

About 1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea

1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea (PubChem CID 167924121) has the molecular formula C14H14ClFN4O2 and a molecular weight of 324.74 g/mol. Its IUPAC name is 1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea
PubChem CID167924121
Molecular FormulaC14H14ClFN4O2
Molecular Weight324.74 g/mol
Exact Mass324.08
IUPAC Name1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea
SMILESCOc1cc(F)ccc1CNC(=O)NCc1cnc(Cl)cn1
InChIInChI=1S/C14H14ClFN4O2/c1-22-12-4-10(16)3-2-9(12)5-19-14(21)20-7-11-6-18-13(15)8-17-11/h2-4,6,8H,5,7H2,1H3,(H2,19,20,21)
InChIKeyLZYXYPAXBDEGCP-UHFFFAOYSA-N
XLogP2.28
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

4,6-dichloro-N-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-fluoropyridine-3-carboxamide
CID 171769814
N-(5-chloropyrazin-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 107595721
(2S)-2-ethoxy-N-[(4-fluoro-2-methoxyphenyl)methyl]propanamide
CID 126439717
2,5-dichloro-N-(4-fluoro-2-methoxyphenyl)pyridine-4-carboxamide
CID 114918264
1-[[2-methoxy-4-[(E)-3-(1-methylpyrrolidin-3-yl)prop-2-enoyl]phenyl]methyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 154504949
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857
1-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]urea
CID 51091708
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
5-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107251532
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea (CID 167924121) is 1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea is COc1cc(F)ccc1CNC(=O)NCc1cnc(Cl)cn1.
What is the InChIKey of 1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea?
The InChIKey is LZYXYPAXBDEGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O2/c1-22-12-4-10(16)3-2-9(12)5-19-14(21)20-7-11-6-18-13(15)8-17-11/h2-4,6,8H,5,7H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea?
1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea has a molecular weight of 324.74 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloropyrazin-2-yl)methyl]-3-[(4-fluoro-2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 167924121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).