7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C23H20ClN3O — CID 11211457

IUPAC7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1cccc(N(C)C2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)c1
InChIInChI=1S/C23H20ClN3O/c1-15-7-6-10-18(13-15)27(2)22-23(28)25-20-12-11-17(24)14-19(20)21(26-22)16-8-4-3-5-9-16/h3-14,22H,1-2H3,(H,25,28)
InChIKeyXNALCKCABVRLPN-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.90
Rot. Bonds3

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

7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 11211457) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID11211457
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESCc1cccc(N(C)C2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)c1
InChIInChI=1S/C23H20ClN3O/c1-15-7-6-10-18(13-15)27(2)22-23(28)25-20-12-11-17(24)14-19(20)21(26-22)16-8-4-3-5-9-16/h3-14,22H,1-2H3,(H,25,28)
InChIKeyXNALCKCABVRLPN-UHFFFAOYSA-N
XLogP4.90
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diazepam
CID 3016
Nordiazepam
CID 2997
Flurazepam
CID 3393
Delorazepam
CID 17925
Ro 5-4864
CID 1688
Desalkylflurazepam
CID 4540
Prazepam
CID 4890
Halazepam
CID 31640
Pinazepam
CID 40391
Fludiazepam
CID 3369
Flurazepam Hydrochloride
CID 14434
Chlorodiazepam
CID 76168

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 11211457) is 7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is Cc1cccc(N(C)C2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)c1.
What is the InChIKey of 7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is XNALCKCABVRLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-15-7-6-10-18(13-15)27(2)22-23(28)25-20-12-11-17(24)14-19(20)21(26-22)16-8-4-3-5-9-16/h3-14,22H,1-2H3,(H,25,28).
What are the key properties of 7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 389.89 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(N,3-dimethylanilino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 11211457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).