(3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C23H19ClN2O2 — CID 15614841

IUPAC(3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1COCc1ccccc1
InChIInChI=1S/C23H19ClN2O2/c24-18-11-12-20-19(13-18)22(17-9-5-2-6-10-17)25-21(23(27)26-20)15-28-14-16-7-3-1-4-8-16/h1-13,21H,14-15H2,(H,26,27)/t21-/m1/s1
InChIKeyZDUTWTMGYFHWON-OAQYLSRUSA-N
MW390.87 g/mol
LogP4.71
Rot. Bonds5

About (3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one

(3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 15614841) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is (3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name(3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID15614841
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name(3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1COCc1ccccc1
InChIInChI=1S/C23H19ClN2O2/c24-18-11-12-20-19(13-18)22(17-9-5-2-6-10-17)25-21(23(27)26-20)15-28-14-16-7-3-1-4-8-16/h1-13,21H,14-15H2,(H,26,27)/t21-/m1/s1
InChIKeyZDUTWTMGYFHWON-OAQYLSRUSA-N
XLogP4.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of (3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 15614841) is (3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for (3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for (3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1COCc1ccccc1.
What is the InChIKey of (3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is ZDUTWTMGYFHWON-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-18-11-12-20-19(13-18)22(17-9-5-2-6-10-17)25-21(23(27)26-20)15-28-14-16-7-3-1-4-8-16/h1-13,21H,14-15H2,(H,26,27)/t21-/m1/s1.
What are the key properties of (3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
(3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 390.87 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-chloro-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 15614841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).