1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea

C19H19ClFN3O2 — CID 55747688

IUPAC1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(C(=O)N2CCCC2)c1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C19H19ClFN3O2/c20-16-7-6-15(11-17(16)21)23-19(26)22-12-13-4-3-5-14(10-13)18(25)24-8-1-2-9-24/h3-7,10-11H,1-2,8-9,12H2,(H2,22,23,26)
InChIKeyHJIIAYCGUBMPHY-UHFFFAOYSA-N
MW375.83 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea

1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea (PubChem CID 55747688) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
PubChem CID55747688
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(C(=O)N2CCCC2)c1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C19H19ClFN3O2/c20-16-7-6-15(11-17(16)21)23-19(26)22-12-13-4-3-5-14(10-13)18(25)24-8-1-2-9-24/h3-7,10-11H,1-2,8-9,12H2,(H2,22,23,26)
InChIKeyHJIIAYCGUBMPHY-UHFFFAOYSA-N
XLogP4.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)-3-fluorophenyl]-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
CID 55836314
N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide
CID 55804667
1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55701806
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
1-(3,4-dimethylphenyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075873
1-(3-chloro-2-methylphenyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075869
3-(azepane-1-carbonyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 109056705
1-[4-(azepane-1-carbonyl)phenyl]-3-[(2-chlorophenyl)methyl]urea
CID 52667072
2-(3-chloro-4-fluoroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54818358
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807539
1-(4-nitrophenyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075850

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea (CID 55747688) is 1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea is O=C(NCc1cccc(C(=O)N2CCCC2)c1)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea?
The InChIKey is HJIIAYCGUBMPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c20-16-7-6-15(11-17(16)21)23-19(26)22-12-13-4-3-5-14(10-13)18(25)24-8-1-2-9-24/h3-7,10-11H,1-2,8-9,12H2,(H2,22,23,26).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea?
1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea has a molecular weight of 375.83 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea is sourced from PubChem (CID 55747688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).