7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one

C19H17Cl2N3O — CID 13336292

IUPAC7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1C1CCNC1
InChIInChI=1S/C19H17Cl2N3O/c20-12-5-6-17-15(9-12)19(14-3-1-2-4-16(14)21)23-11-18(25)24(17)13-7-8-22-10-13/h1-6,9,13,22H,7-8,10-11H2
InChIKeyNWWBSQWYWOKQJY-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.54
Rot. Bonds2

About 7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one

7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one (PubChem CID 13336292) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one
PubChem CID13336292
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one
SMILESO=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1C1CCNC1
InChIInChI=1S/C19H17Cl2N3O/c20-12-5-6-17-15(9-12)19(14-3-1-2-4-16(14)21)23-11-18(25)24(17)13-7-8-22-10-13/h1-6,9,13,22H,7-8,10-11H2
InChIKeyNWWBSQWYWOKQJY-UHFFFAOYSA-N
XLogP3.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-5-phenyl-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one;hydrate;hydrobromide
CID 24834913
8-chloro-6-(2-chlorophenyl)-3-methyl-3a,4-dihydro-2H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one;hydrate
CID 173450126
methyl 9-chloro-7-(2-chlorophenyl)-1-methyl-2-oxo-3,5-dihydro-1H-pyrazino[1,2-a][1,4]benzodiazepine-4-carboxylate
CID 3070988
9-chloro-7-(2-chlorophenyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine
CID 54574633
7-fluoro-5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-3H-1,4-benzodiazepin-2-one
CID 13450652
[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl] 3-acetamidobutanoate
CID 70449511
methyl 9-chloro-7-(2-chlorophenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate
CID 15079782
7-chloro-5-(2-fluorophenyl)-1-(3-piperazin-1-ylpropyl)-3H-1,4-benzodiazepin-2-one;hydrochloride
CID 13988
7-chloro-1-(2-(18F)fluoro-2,2-difluoroethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
CID 10317038
[8-chloro-6-(2-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-3-yl] benzoate
CID 13280959
8-chloro-1-[[[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methyldisulfanyl]methyl]-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 15573094
7-chloro-1-(cyclobutylmethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 154138660

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one (CID 13336292) is 7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one is O=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1C1CCNC1.
What is the InChIKey of 7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one?
The InChIKey is NWWBSQWYWOKQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c20-12-5-6-17-15(9-12)19(14-3-1-2-4-16(14)21)23-11-18(25)24(17)13-7-8-22-10-13/h1-6,9,13,22H,7-8,10-11H2.
What are the key properties of 7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one?
7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one has a molecular weight of 374.27 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 13336292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).