6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione

C21H14ClNO2 — CID 17129349

IUPAC6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C21H14ClNO2/c22-19-12-6-1-7-14(19)13-23-20(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(23)25/h1-12H,13H2
InChIKeyNUFPEXJADKNXOJ-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.22
Rot. Bonds2

About 6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione

6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione (PubChem CID 17129349) has the molecular formula C21H14ClNO2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione
PubChem CID17129349
Molecular FormulaC21H14ClNO2
Molecular Weight347.80 g/mol
Exact Mass347.07
IUPAC Name6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccccc1Cl
InChIInChI=1S/C21H14ClNO2/c22-19-12-6-1-7-14(19)13-23-20(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(23)25/h1-12H,13H2
InChIKeyNUFPEXJADKNXOJ-UHFFFAOYSA-N
XLogP4.22
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-methylquinazoline-2,4-dione
CID 944822
3-[(2-chlorophenyl)methyl]-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 15988071
1-[(2-chlorophenyl)methyl]-4-hydroxyquinolin-2-one
CID 54679720
2-benzylsulfanyl-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 51365254
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
3-[(2-chlorophenyl)methyl]-4-oxophthalazine-1-carboxylic acid
CID 5304395
1-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)quinazoline-2,4-dione
CID 17159909
3-(3-chlorophenyl)-1-[(2-chlorophenyl)methyl]quinazoline-2,4-dione
CID 17147919
3,5-bis[(2-chlorophenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026433
1-[(2-chlorophenyl)methyl]-3-(3-methylbutyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879902
(2S)-2-[3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7235274
3-[2-(2-chlorophenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 804985

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione?
The IUPAC name of 6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione (CID 17129349) is 6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione is O=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccccc1Cl.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione?
The InChIKey is NUFPEXJADKNXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2/c22-19-12-6-1-7-14(19)13-23-20(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(23)25/h1-12H,13H2.
What are the key properties of 6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione?
6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione has a molecular weight of 347.80 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]benzo[d][2]benzazepine-5,7-dione is sourced from PubChem (CID 17129349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).