(3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone

C19H15BrN2O — CID 68687834

IUPAC(3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1Cc2cccn2Cc2ccccc21
InChIInChI=1S/C19H15BrN2O/c20-16-7-3-6-14(11-16)19(23)22-13-17-8-4-10-21(17)12-15-5-1-2-9-18(15)22/h1-11H,12-13H2
InChIKeyLYXBNHYQHFDMJH-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.46
Rot. Bonds1

About (3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone

(3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone (PubChem CID 68687834) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is (3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
PubChem CID68687834
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name(3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
SMILESO=C(c1cccc(Br)c1)N1Cc2cccn2Cc2ccccc21
InChIInChI=1S/C19H15BrN2O/c20-16-7-3-6-14(11-16)19(23)22-13-17-8-4-10-21(17)12-15-5-1-2-9-18(15)22/h1-11H,12-13H2
InChIKeyLYXBNHYQHFDMJH-UHFFFAOYSA-N
XLogP4.46
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
CID 22219706
6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(2,6-dimethylphenyl)-3-methylphenyl]methanone
CID 68702076
(4-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone;6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine
CID 160614657
6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid
CID 91589505
6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(4-methylphenoxy)phenyl]methanone
CID 22405326
2,4-dichloro-N-[2-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]benzamide
CID 70344026
(2-chloro-4-ethynylphenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
CID 10308885
6-bromo-6-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]cyclohexa-2,4-diene-1-carboxamide
CID 70344172
6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(3-methoxy-2-methylcyclohexen-1-yl)-3-methylphenyl]methanone
CID 10296072
N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methoxyphenyl]-2-phenylbenzamide
CID 18917518
6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl-[4-(6,6-dimethylcyclohexen-1-yl)phenyl]methanone;4-(6,6-dimethylcyclohexen-1-yl)benzoic acid
CID 161313614
3-chloro-N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]thiophene-2-carboxamide
CID 70344713

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone?
The IUPAC name of (3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone (CID 68687834) is (3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone is O=C(c1cccc(Br)c1)N1Cc2cccn2Cc2ccccc21.
What is the InChIKey of (3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone?
The InChIKey is LYXBNHYQHFDMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O/c20-16-7-3-6-14(11-16)19(23)22-13-17-8-4-10-21(17)12-15-5-1-2-9-18(15)22/h1-11H,12-13H2.
What are the key properties of (3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone?
(3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone has a molecular weight of 367.25 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone is sourced from PubChem (CID 68687834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).