3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide

C16H9Cl2NO3 — CID 91678852

IUPAC3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide
SMILESO=C(NC1(Cl)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1
InChIInChI=1S/C16H9Cl2NO3/c17-10-5-3-4-9(8-10)15(22)19-16(18)13(20)11-6-1-2-7-12(11)14(16)21/h1-8H,(H,19,22)
InChIKeyLJUIBFWPHSTLJR-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.08
Rot. Bonds2

About 3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide

3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide (PubChem CID 91678852) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide
PubChem CID91678852
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC Name3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide
SMILESO=C(NC1(Cl)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1
InChIInChI=1S/C16H9Cl2NO3/c17-10-5-3-4-9(8-10)15(22)19-16(18)13(20)11-6-1-2-7-12(11)14(16)21/h1-8H,(H,19,22)
InChIKeyLJUIBFWPHSTLJR-UHFFFAOYSA-N
XLogP3.08
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
2-(3-chlorobenzoyl)indene-1,3-dione
CID 22648334
3-chlorobenzohydrazide;bis(formonitrile)
CID 175536479
3-chloro-N-propan-2-ylbenzamide
CID 669184
3-chloro-N'-(2,2-diphenylacetyl)benzohydrazide
CID 1378804
benzoic acid;3-chlorobenzoic acid
CID 162034638
N-[2-[(2-aminoacetyl)amino]phenyl]-3-chlorobenzamide
CID 39184246
N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide
CID 114383601
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
3-chloro-N-(6-oxo-1H-pyridin-2-yl)benzamide
CID 3011466
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide (CID 91678852) is 3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide is O=C(NC1(Cl)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide?
The InChIKey is LJUIBFWPHSTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-10-5-3-4-9(8-10)15(22)19-16(18)13(20)11-6-1-2-7-12(11)14(16)21/h1-8H,(H,19,22).
What are the key properties of 3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide?
3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide has a molecular weight of 334.16 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-1,3-dioxoinden-2-yl)benzamide is sourced from PubChem (CID 91678852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).