2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide

C17H10Br2ClNO3 — CID 18877497

IUPAC2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide
SMILESCC(Cl)C(=O)Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H10Br2ClNO3/c1-7(20)17(24)21-14-11(19)6-10(18)12-13(14)16(23)9-5-3-2-4-8(9)15(12)22/h2-7H,1H3,(H,21,24)
InChIKeyGPPLWLPYKCKDCN-UHFFFAOYSA-N
MW471.53 g/mol
LogP4.55
Rot. Bonds2

About 2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide

2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide (PubChem CID 18877497) has the molecular formula C17H10Br2ClNO3 and a molecular weight of 471.53 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide
PubChem CID18877497
Molecular FormulaC17H10Br2ClNO3
Molecular Weight471.53 g/mol
Exact Mass468.87
IUPAC Name2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide
SMILESCC(Cl)C(=O)Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H10Br2ClNO3/c1-7(20)17(24)21-14-11(19)6-10(18)12-13(14)16(23)9-5-3-2-4-8(9)15(12)22/h2-7H,1H3,(H,21,24)
InChIKeyGPPLWLPYKCKDCN-UHFFFAOYSA-N
XLogP4.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide?
The IUPAC name of 2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide (CID 18877497) is 2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide?
The canonical SMILES for 2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide is CC(Cl)C(=O)Nc1c(Br)cc(Br)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide?
The InChIKey is GPPLWLPYKCKDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2ClNO3/c1-7(20)17(24)21-14-11(19)6-10(18)12-13(14)16(23)9-5-3-2-4-8(9)15(12)22/h2-7H,1H3,(H,21,24).
What are the key properties of 2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide?
2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide has a molecular weight of 471.53 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dibromo-9,10-dioxoanthracen-1-yl)propanamide is sourced from PubChem (CID 18877497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).