1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea

C22H25F2N3O — CID 60583589

IUPAC1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C22H25F2N3O/c23-18-3-1-16(2-4-18)15-27(21-9-10-21)22(28)25-13-17-11-12-26(14-17)20-7-5-19(24)6-8-20/h1-8,17,21H,9-15H2,(H,25,28)
InChIKeyVZHQKFHSROYXQY-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.17
Rot. Bonds6

About 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea

1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea (PubChem CID 60583589) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
PubChem CID60583589
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C22H25F2N3O/c23-18-3-1-16(2-4-18)15-27(21-9-10-21)22(28)25-13-17-11-12-26(14-17)20-7-5-19(24)6-8-20/h1-8,17,21H,9-15H2,(H,25,28)
InChIKeyVZHQKFHSROYXQY-UHFFFAOYSA-N
XLogP4.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]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-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
3,3,3-trifluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 122132458
1-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119862649
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide
CID 119862653
1-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(4-methoxybutyl)urea
CID 95156016
1-cycloheptyl-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 71886089
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 119862617
3-amino-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119862615
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914093
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
1-(1-ethylpiperidin-4-yl)-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 51093269
1,1-dimethyl-3-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]urea
CID 110640390

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea (CID 60583589) is 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea is O=C(NCC1CCN(c2ccc(F)cc2)C1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is VZHQKFHSROYXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c23-18-3-1-16(2-4-18)15-27(21-9-10-21)22(28)25-13-17-11-12-26(14-17)20-7-5-19(24)6-8-20/h1-8,17,21H,9-15H2,(H,25,28).
What are the key properties of 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea?
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 385.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 60583589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).