1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea

C19H21Cl2FN4O2 — CID 56503165

IUPAC1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
SMILESCn1c(C(=O)N2CCCC(CNC(=O)Nc3cccc(F)c3)C2)cc(Cl)c1Cl
InChIInChI=1S/C19H21Cl2FN4O2/c1-25-16(9-15(20)17(25)21)18(27)26-7-3-4-12(11-26)10-23-19(28)24-14-6-2-5-13(22)8-14/h2,5-6,8-9,12H,3-4,7,10-11H2,1H3,(H2,23,24,28)
InChIKeyOOFKXLPHCLFADW-UHFFFAOYSA-N
MW427.31 g/mol
LogP4.14
Rot. Bonds4

About 1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea

1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea (PubChem CID 56503165) has the molecular formula C19H21Cl2FN4O2 and a molecular weight of 427.31 g/mol. Its IUPAC name is 1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
PubChem CID56503165
Molecular FormulaC19H21Cl2FN4O2
Molecular Weight427.31 g/mol
Exact Mass426.10
IUPAC Name1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
SMILESCn1c(C(=O)N2CCCC(CNC(=O)Nc3cccc(F)c3)C2)cc(Cl)c1Cl
InChIInChI=1S/C19H21Cl2FN4O2/c1-25-16(9-15(20)17(25)21)18(27)26-7-3-4-12(11-26)10-23-19(28)24-14-6-2-5-13(22)8-14/h2,5-6,8-9,12H,3-4,7,10-11H2,1H3,(H2,23,24,28)
InChIKeyOOFKXLPHCLFADW-UHFFFAOYSA-N
XLogP4.14
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea with MolForge

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Related Compounds

1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea
CID 56504183
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
N-[[4-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 56504186
1-[[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119310869
1-(3-fluorophenyl)-3-[[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-3-yl]methyl]urea
CID 56503675
1-[[(3S)-1-[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 52871823
1-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56511706
1-[[1-(3-aminobutanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 119761814
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56504447
1-[[1-(2-amino-3-methoxypropanoyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120988664

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea (CID 56503165) is 1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea is Cn1c(C(=O)N2CCCC(CNC(=O)Nc3cccc(F)c3)C2)cc(Cl)c1Cl.
What is the InChIKey of 1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
The InChIKey is OOFKXLPHCLFADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2FN4O2/c1-25-16(9-15(20)17(25)21)18(27)26-7-3-4-12(11-26)10-23-19(28)24-14-6-2-5-13(22)8-14/h2,5-6,8-9,12H,3-4,7,10-11H2,1H3,(H2,23,24,28).
What are the key properties of 1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea?
1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea has a molecular weight of 427.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 56503165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).