3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea

C19H16ClFN2O3 — CID 87009008

IUPAC3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C19H16ClFN2O3/c20-16-10-14(7-8-17(16)21)22-19(25)23(12-15-5-3-9-26-15)11-13-4-1-2-6-18(13)24/h1-10,24H,11-12H2,(H,22,25)
InChIKeyNZFGYYNOHRPLKR-UHFFFAOYSA-N
MW374.80 g/mol
LogP5.01
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea

3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea (PubChem CID 87009008) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea
PubChem CID87009008
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea
SMILESO=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccco1)Cc1ccccc1O
InChIInChI=1S/C19H16ClFN2O3/c20-16-10-14(7-8-17(16)21)22-19(25)23(12-15-5-3-9-26-15)11-13-4-1-2-6-18(13)24/h1-10,24H,11-12H2,(H,22,25)
InChIKeyNZFGYYNOHRPLKR-UHFFFAOYSA-N
XLogP5.01
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.80
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea (CID 87009008) is 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea is O=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccco1)Cc1ccccc1O.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea?
The InChIKey is NZFGYYNOHRPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c20-16-10-14(7-8-17(16)21)22-19(25)23(12-15-5-3-9-26-15)11-13-4-1-2-6-18(13)24/h1-10,24H,11-12H2,(H,22,25).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea?
3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea has a molecular weight of 374.80 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 87009008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).