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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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).