1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea

C24H23N5O2 — CID 92702096

IUPAC1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea
SMILESCC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H23N5O2/c1-2-18(16-29-23(30)20-13-7-9-15-22(20)27-28-29)25-24(31)26-21-14-8-6-12-19(21)17-10-4-3-5-11-17/h3-15,18H,2,16H2,1H3,(H2,25,26,31)/t18-/m1/s1
InChIKeyUJEVEPITERFHEK-GOSISDBHSA-N
MW413.48 g/mol
LogP4.06
Rot. Bonds6

About 1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea

1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea (PubChem CID 92702096) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea
PubChem CID92702096
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea
SMILESCC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H23N5O2/c1-2-18(16-29-23(30)20-13-7-9-15-22(20)27-28-29)25-24(31)26-21-14-8-6-12-19(21)17-10-4-3-5-11-17/h3-15,18H,2,16H2,1H3,(H2,25,26,31)/t18-/m1/s1
InChIKeyUJEVEPITERFHEK-GOSISDBHSA-N
XLogP4.06
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-3-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]urea
CID 92702102
N-[(2S)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]propanamide
CID 92587836
1-benzyl-3-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]urea
CID 92702106
N-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclobutanecarboxamide
CID 16671373
N-[(2S)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]cyclopentanecarboxamide
CID 95791854
2-(4-fluorophenyl)-N-[(2S)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]acetamide
CID 95791852
2-ethoxy-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 63074080
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 30238346
(2S,3S)-3-methyl-2-[(2-phenylphenyl)carbamoylamino]pentanamide
CID 97307942
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylbenzoate
CID 7554658
ethane;3-ethyl-1,2,3-benzotriazin-4-one
CID 145233159
(4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
CID 4524672

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea (CID 92702096) is 1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea is CC[C@H](Cn1nnc2ccccc2c1=O)NC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea?
The InChIKey is UJEVEPITERFHEK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-2-18(16-29-23(30)20-13-7-9-15-22(20)27-28-29)25-24(31)26-21-14-8-6-12-19(21)17-10-4-3-5-11-17/h3-15,18H,2,16H2,1H3,(H2,25,26,31)/t18-/m1/s1.
What are the key properties of 1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea?
1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea has a molecular weight of 413.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(4-oxo-1,2,3-benzotriazin-3-yl)butan-2-yl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 92702096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).