1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea

C19H21ClFN3O — CID 46884513

IUPAC1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea
SMILESO=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C19H21ClFN3O/c20-15-3-7-17(8-4-15)24(18-9-11-22-12-10-18)19(25)23-13-14-1-5-16(21)6-2-14/h1-8,18,22H,9-13H2,(H,23,25)
InChIKeyBGLAQBRFGVAOTM-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.95
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea

1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea (PubChem CID 46884513) has the molecular formula C19H21ClFN3O and a molecular weight of 361.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea
PubChem CID46884513
Molecular FormulaC19H21ClFN3O
Molecular Weight361.85 g/mol
Exact Mass361.14
IUPAC Name1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea
SMILESO=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C19H21ClFN3O/c20-15-3-7-17(8-4-15)24(18-9-11-22-12-10-18)19(25)23-13-14-1-5-16(21)6-2-14/h1-8,18,22H,9-13H2,(H,23,25)
InChIKeyBGLAQBRFGVAOTM-UHFFFAOYSA-N
XLogP3.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea (CID 46884513) is 1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea is O=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea?
The InChIKey is BGLAQBRFGVAOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O/c20-15-3-7-17(8-4-15)24(18-9-11-22-12-10-18)19(25)23-13-14-1-5-16(21)6-2-14/h1-8,18,22H,9-13H2,(H,23,25).
What are the key properties of 1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea?
1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea has a molecular weight of 361.85 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1-piperidin-4-ylurea is sourced from PubChem (CID 46884513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).