N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide

C18H13NO3 — CID 142660972

IUPACN-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1cccc2c1C(=O)C(=O)C=C2
InChIInChI=1S/C18H13NO3/c1-19(18(22)13-6-3-2-4-7-13)14-9-5-8-12-10-11-15(20)17(21)16(12)14/h2-11H,1H3
InChIKeyJNXNASBSQLTVBD-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.74
Rot. Bonds2

About N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide

N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide (PubChem CID 142660972) has the molecular formula C18H13NO3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide
PubChem CID142660972
Molecular FormulaC18H13NO3
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC NameN-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1cccc2c1C(=O)C(=O)C=C2
InChIInChI=1S/C18H13NO3/c1-19(18(22)13-6-3-2-4-7-13)14-9-5-8-12-10-11-15(20)17(21)16(12)14/h2-11H,1H3
InChIKeyJNXNASBSQLTVBD-UHFFFAOYSA-N
XLogP2.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-naphthalen-1-ylbenzamide
CID 47382605
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
N-methyl-N-[8-(methylamino)naphthalen-1-yl](13C)benzamide
CID 100940679
N-methyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 13047995
N-(3-oxoinden-4-yl)benzamide
CID 67095227
4-amino-N-(3-chloro-2-fluorophenyl)-N-methylbenzamide
CID 126649358
2-[(3-chlorobenzoyl)-methylamino]benzoic acid
CID 16771040
N-methyl-3-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 47087047
2-[[4-(dimethylamino)benzoyl]-methylamino]benzoic acid
CID 43823080
N-methyl-N-[3-(N-methylanilino)phenyl]benzamide
CID 129066255
N-[6-[6-[benzoyl(methyl)amino]-2-pyridinyl]-2-pyridinyl]-N-methylbenzamide
CID 101359093
N-(2-methoxyphenyl)-N-methyl-3-sulfanylbenzamide
CID 107027620

Frequently Asked Questions

What is the IUPAC name of N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide?
The IUPAC name of N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide (CID 142660972) is N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide.
What is the SMILES notation for N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide?
The canonical SMILES for N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide is CN(C(=O)c1ccccc1)c1cccc2c1C(=O)C(=O)C=C2.
What is the InChIKey of N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide?
The InChIKey is JNXNASBSQLTVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO3/c1-19(18(22)13-6-3-2-4-7-13)14-9-5-8-12-10-11-15(20)17(21)16(12)14/h2-11H,1H3.
What are the key properties of N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide?
N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide has a molecular weight of 291.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dioxonaphthalen-1-yl)-N-methylbenzamide is sourced from PubChem (CID 142660972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).