2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide

C22H14ClNO4 — CID 13110151

IUPAC2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide
SMILESO=C(CCl)Nc1ccc(Oc2ccccc2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H14ClNO4/c23-12-18(25)24-16-10-11-17(28-13-6-2-1-3-7-13)20-19(16)21(26)14-8-4-5-9-15(14)22(20)27/h1-11H,12H2,(H,24,25)
InChIKeyKRTUZNRZIZULIQ-UHFFFAOYSA-N
MW391.81 g/mol
LogP4.43
Rot. Bonds4

About 2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide

2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide (PubChem CID 13110151) has the molecular formula C22H14ClNO4 and a molecular weight of 391.81 g/mol. Its IUPAC name is 2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide
PubChem CID13110151
Molecular FormulaC22H14ClNO4
Molecular Weight391.81 g/mol
Exact Mass391.06
IUPAC Name2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide
SMILESO=C(CCl)Nc1ccc(Oc2ccccc2)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H14ClNO4/c23-12-18(25)24-16-10-11-17(28-13-6-2-1-3-7-13)20-19(16)21(26)14-8-4-5-9-15(14)22(20)27/h1-11H,12H2,(H,24,25)
InChIKeyKRTUZNRZIZULIQ-UHFFFAOYSA-N
XLogP4.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 14220963
2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide
CID 15285980
2-chloro-N-[(2-phenoxyphenyl)carbamoyl]acetamide
CID 43328802
4-chloro-N-[2-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]butanamide
CID 53374097
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-[[4-(carboxymethylamino)-9,10-dioxoanthracen-1-yl]amino]acetic acid
CID 135183133
2-amino-N-(4-amino-9,10-dioxoanthracen-1-yl)acetamide
CID 10402224
2-chloro-N-[5-(methanesulfonamido)-2-nitro-4-phenoxyphenyl]acetamide
CID 15285981
N-[2-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]-2-methylbenzamide
CID 53374197
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400
N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide
CID 56695964
N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide
CID 13380581

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide (CID 13110151) is 2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide is O=C(CCl)Nc1ccc(Oc2ccccc2)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide?
The InChIKey is KRTUZNRZIZULIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClNO4/c23-12-18(25)24-16-10-11-17(28-13-6-2-1-3-7-13)20-19(16)21(26)14-8-4-5-9-15(14)22(20)27/h1-11H,12H2,(H,24,25).
What are the key properties of 2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide?
2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide has a molecular weight of 391.81 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide is sourced from PubChem (CID 13110151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).