1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea

C18H17ClN4O3 — CID 71461254

IUPAC1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea
SMILESCN1C(=O)C(NC(=O)Nc2ccccc2Cl)N(C)C(=O)c2ccccc21
InChIInChI=1S/C18H17ClN4O3/c1-22-14-10-6-3-7-11(14)16(24)23(2)15(17(22)25)21-18(26)20-13-9-5-4-8-12(13)19/h3-10,15H,1-2H3,(H2,20,21,26)
InChIKeyLIUOFQFNDGJJCC-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.54
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea

1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea (PubChem CID 71461254) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea
PubChem CID71461254
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea
SMILESCN1C(=O)C(NC(=O)Nc2ccccc2Cl)N(C)C(=O)c2ccccc21
InChIInChI=1S/C18H17ClN4O3/c1-22-14-10-6-3-7-11(14)16(24)23(2)15(17(22)25)21-18(26)20-13-9-5-4-8-12(13)19/h3-10,15H,1-2H3,(H2,20,21,26)
InChIKeyLIUOFQFNDGJJCC-UHFFFAOYSA-N
XLogP2.54
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea (CID 71461254) is 1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea is CN1C(=O)C(NC(=O)Nc2ccccc2Cl)N(C)C(=O)c2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea?
The InChIKey is LIUOFQFNDGJJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-22-14-10-6-3-7-11(14)16(24)23(2)15(17(22)25)21-18(26)20-13-9-5-4-8-12(13)19/h3-10,15H,1-2H3,(H2,20,21,26).
What are the key properties of 1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea?
1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea has a molecular weight of 372.81 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(1,4-dimethyl-2,5-dioxo-3H-1,4-benzodiazepin-3-yl)urea is sourced from PubChem (CID 71461254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).