1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea

C22H16ClFN4O2 — CID 10432393

IUPAC1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O
InChIInChI=1S/C22H16ClFN4O2/c23-13-9-11-14(12-10-13)25-22(30)28-20-21(29)26-18-8-4-2-6-16(18)19(27-20)15-5-1-3-7-17(15)24/h1-12,20H,(H,26,29)(H2,25,28,30)
InChIKeyREOVDJIBQLUDPV-UHFFFAOYSA-N
MW422.85 g/mol
LogP4.42
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea

1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea (PubChem CID 10432393) has the molecular formula C22H16ClFN4O2 and a molecular weight of 422.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
PubChem CID10432393
Molecular FormulaC22H16ClFN4O2
Molecular Weight422.85 g/mol
Exact Mass422.09
IUPAC Name1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O
InChIInChI=1S/C22H16ClFN4O2/c23-13-9-11-14(12-10-13)25-22(30)28-20-21(29)26-18-8-4-2-6-16(18)19(27-20)15-5-1-3-7-17(15)24/h1-12,20H,(H,26,29)(H2,25,28,30)
InChIKeyREOVDJIBQLUDPV-UHFFFAOYSA-N
XLogP4.42
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.85
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea (CID 10432393) is 1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea is O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea?
The InChIKey is REOVDJIBQLUDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O2/c23-13-9-11-14(12-10-13)25-22(30)28-20-21(29)26-18-8-4-2-6-16(18)19(27-20)15-5-1-3-7-17(15)24/h1-12,20H,(H,26,29)(H2,25,28,30).
What are the key properties of 1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea?
1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea has a molecular weight of 422.85 g/mol, XLogP of 4.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]urea is sourced from PubChem (CID 10432393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).