N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide

C17H9Cl2NO2 — CID 569498

IUPACN-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide
SMILESO=C(/N=C1\C(Cl)=C(Cl)C(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C17H9Cl2NO2/c18-13-14(19)16(21)12-9-5-4-8-11(12)15(13)20-17(22)10-6-2-1-3-7-10/h1-9H/b20-15-
InChIKeyHABYMUVRSBYYDJ-HKWRFOASSA-N
MW330.17 g/mol
LogP4.20
Rot. Bonds1

About N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide

N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide (PubChem CID 569498) has the molecular formula C17H9Cl2NO2 and a molecular weight of 330.17 g/mol. Its IUPAC name is N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide.

Molecular Properties

Compound NameN-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide
PubChem CID569498
Molecular FormulaC17H9Cl2NO2
Molecular Weight330.17 g/mol
Exact Mass329.00
IUPAC NameN-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide
SMILESO=C(/N=C1\C(Cl)=C(Cl)C(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C17H9Cl2NO2/c18-13-14(19)16(21)12-9-5-4-8-11(12)15(13)20-17(22)10-6-2-1-3-7-10/h1-9H/b20-15-
InChIKeyHABYMUVRSBYYDJ-HKWRFOASSA-N
XLogP4.20
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)(phenyl)methylene]benzamide
CID 4197856
1-Acetyl-6-chloro-3H-naphtho[1,2,3-de]quinoline-2,7-dione
CID 1587694
1-acetyl-6-chloro-2H-naphtho[1,2,3-de]quinoline-2,7(3H)-dione
CID 135497423
2-Chloro-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]naphthalene-1,4-dione
CID 260559
N-[(2R)-2-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene]benzamide
CID 134946117
N-[(2S)-2-chloro-2-fluoro-3,4-dihydronaphthalen-1-ylidene]benzamide
CID 134946118
(Z)-4-chloro-N-(2,3-dichloro-4-oxonaphthalen-1(4H)-ylidene)benzamide
CID 4111118
3-Chloroisoindol-1-one
CID 4738466
3-Phenyl-isoindol-1-one
CID 12233764
3,4-Dihydro-1-isoquinolinyl(phenyl)methanone
CID 12631416
Benzo[k]phenanthridine-6,8-dione
CID 19744958
Phenanthridin-6(2h)-one
CID 172777064

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide?
The IUPAC name of N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide (CID 569498) is N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide.
What is the SMILES notation for N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide?
The canonical SMILES for N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide is O=C(/N=C1\C(Cl)=C(Cl)C(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide?
The InChIKey is HABYMUVRSBYYDJ-HKWRFOASSA-N. The full InChI is InChI=1S/C17H9Cl2NO2/c18-13-14(19)16(21)12-9-5-4-8-11(12)15(13)20-17(22)10-6-2-1-3-7-10/h1-9H/b20-15-.
What are the key properties of N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide?
N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide has a molecular weight of 330.17 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloro-4-oxonaphthalen-1-ylidene)benzamide is sourced from PubChem (CID 569498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).