1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea

C19H17ClN2O2 — CID 2990313

IUPAC1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)Cc1ccco1
InChIInChI=1S/C19H17ClN2O2/c20-16-10-8-15(9-11-16)13-22(14-18-7-4-12-24-18)19(23)21-17-5-2-1-3-6-17/h1-12H,13-14H2,(H,21,23)
InChIKeyPGWSZVRBPMNHMQ-UHFFFAOYSA-N
MW340.81 g/mol
LogP5.17
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea

1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea (PubChem CID 2990313) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea
PubChem CID2990313
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)Cc1ccco1
InChIInChI=1S/C19H17ClN2O2/c20-16-10-8-15(9-11-16)13-22(14-18-7-4-12-24-18)19(23)21-17-5-2-1-3-6-17/h1-12H,13-14H2,(H,21,23)
InChIKeyPGWSZVRBPMNHMQ-UHFFFAOYSA-N
XLogP5.17
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.81
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea (CID 2990313) is 1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea is O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)Cc1ccco1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea?
The InChIKey is PGWSZVRBPMNHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-16-10-8-15(9-11-16)13-22(14-18-7-4-12-24-18)19(23)21-17-5-2-1-3-6-17/h1-12H,13-14H2,(H,21,23).
What are the key properties of 1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea?
1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea has a molecular weight of 340.81 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-phenylurea is sourced from PubChem (CID 2990313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).