1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea

C15H18FN3O2 — CID 75439636

IUPAC1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea
SMILESCOc1cc(F)cc(CNC(=O)NCc2ccn(C)c2)c1
InChIInChI=1S/C15H18FN3O2/c1-19-4-3-11(10-19)8-17-15(20)18-9-12-5-13(16)7-14(6-12)21-2/h3-7,10H,8-9H2,1-2H3,(H2,17,18,20)
InChIKeyDPJVGDBLFYBGGB-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.17
Rot. Bonds5

About 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea

1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea (PubChem CID 75439636) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea
PubChem CID75439636
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea
SMILESCOc1cc(F)cc(CNC(=O)NCc2ccn(C)c2)c1
InChIInChI=1S/C15H18FN3O2/c1-19-4-3-11(10-19)8-17-15(20)18-9-12-5-13(16)7-14(6-12)21-2/h3-7,10H,8-9H2,1-2H3,(H2,17,18,20)
InChIKeyDPJVGDBLFYBGGB-UHFFFAOYSA-N
XLogP2.17
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea
CID 84593918
1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea
CID 91660536
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492
2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103943197
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[2-hydroxy-1-(4-methoxyphenyl)ethyl]-1-methyl-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 84594741
1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128988868
(3S)-1-acetyl-N-[(3-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129345621
methyl 3-(3-fluoro-5-methoxyphenyl)propanoate
CID 68895290
N-[(1-methylpyrrol-3-yl)methyl]prop-2-enamide
CID 106390668

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea?
The IUPAC name of 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea (CID 75439636) is 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea?
The canonical SMILES for 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea is COc1cc(F)cc(CNC(=O)NCc2ccn(C)c2)c1.
What is the InChIKey of 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea?
The InChIKey is DPJVGDBLFYBGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-19-4-3-11(10-19)8-17-15(20)18-9-12-5-13(16)7-14(6-12)21-2/h3-7,10H,8-9H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea?
1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea has a molecular weight of 291.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea is sourced from PubChem (CID 75439636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).