7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C16H12BrClN2O2 — CID 11794128

IUPAC7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESO=C1NC(Cc2cccc(Cl)c2)C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C16H12BrClN2O2/c17-10-4-5-13-12(8-10)15(21)20-14(16(22)19-13)7-9-2-1-3-11(18)6-9/h1-6,8,14H,7H2,(H,19,22)(H,20,21)
InChIKeyHVJAGOBCZCVBJN-UHFFFAOYSA-N
MW379.64 g/mol
LogP3.40
Rot. Bonds2

About 7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 11794128) has the molecular formula C16H12BrClN2O2 and a molecular weight of 379.64 g/mol. Its IUPAC name is 7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
PubChem CID11794128
Molecular FormulaC16H12BrClN2O2
Molecular Weight379.64 g/mol
Exact Mass377.98
IUPAC Name7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESO=C1NC(Cc2cccc(Cl)c2)C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C16H12BrClN2O2/c17-10-4-5-13-12(8-10)15(21)20-14(16(22)19-13)7-9-2-1-3-11(18)6-9/h1-6,8,14H,7H2,(H,19,22)(H,20,21)
InChIKeyHVJAGOBCZCVBJN-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-3-(2-phenylethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 10784666
7-chloro-3-[[4-(cyclopenta-1,4-dien-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 158285101
2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one
CID 11221417
3-benzyl-8-fluoro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 54300452
N-(3-bromophenyl)-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 51837600
6-benzylpiperazine-2,3,5-trione
CID 14446168
3-[(3-chlorophenyl)methyl]-6-(1,3-thiazol-5-ylmethyl)piperazine-2,5-dione
CID 167908410
(3S)-1,3-dibenzyl-7-chloro-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 25053747
3-[(4-amino-3-phenylmethoxyphenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 67139744
(5S,8S,11S)-5-[(4-bromophenyl)methyl]-11-[(3-chlorophenyl)methyl]-8-(pyridin-3-ylmethyl)-2,6,9,12-tetrazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-3,7,10,13-tetrone
CID 177095010
7-amino-2-[(3-chlorophenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 82228656
(3R)-9-chloro-3-[(4-iodophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 70944996

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 11794128) is 7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is O=C1NC(Cc2cccc(Cl)c2)C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The InChIKey is HVJAGOBCZCVBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN2O2/c17-10-4-5-13-12(8-10)15(21)20-14(16(22)19-13)7-9-2-1-3-11(18)6-9/h1-6,8,14H,7H2,(H,19,22)(H,20,21).
What are the key properties of 7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 379.64 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(3-chlorophenyl)methyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 11794128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).