4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide

C21H13Cl2NO3 — CID 23471848

IUPAC4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide
SMILESCc1cc2oc3cc(NC(=O)c4ccc(Cl)cc4)ccc3c(=O)c2cc1Cl
InChIInChI=1S/C21H13Cl2NO3/c1-11-8-18-16(10-17(11)23)20(25)15-7-6-14(9-19(15)27-18)24-21(26)12-2-4-13(22)5-3-12/h2-10H,1H3,(H,24,26)
InChIKeyZZWYMJHQPPBMGG-UHFFFAOYSA-N
MW398.25 g/mol
LogP5.81
Rot. Bonds2

About 4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide

4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide (PubChem CID 23471848) has the molecular formula C21H13Cl2NO3 and a molecular weight of 398.25 g/mol. Its IUPAC name is 4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide
PubChem CID23471848
Molecular FormulaC21H13Cl2NO3
Molecular Weight398.25 g/mol
Exact Mass397.03
IUPAC Name4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide
SMILESCc1cc2oc3cc(NC(=O)c4ccc(Cl)cc4)ccc3c(=O)c2cc1Cl
InChIInChI=1S/C21H13Cl2NO3/c1-11-8-18-16(10-17(11)23)20(25)15-7-6-14(9-19(15)27-18)24-21(26)12-2-4-13(22)5-3-12/h2-10H,1H3,(H,24,26)
InChIKeyZZWYMJHQPPBMGG-UHFFFAOYSA-N
XLogP5.81
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(6,7-dimethyl-9-oxoxanthen-3-yl)-4-propoxybenzamide
CID 23471992
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide
CID 23471863
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 23471876
4-methyl-N-(5-methyl-9-oxoxanthen-3-yl)benzamide
CID 23472102
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23471868
4-bromo-N-[2-(4-chlorobenzoyl)-3-methyl-1-benzofuran-6-yl]benzamide
CID 18568645
N-(6,7-dimethyl-9-oxoxanthen-3-yl)-3-nitrobenzamide
CID 23471985
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
(E)-3-(2-chlorophenyl)-N-(6,7-dimethyl-9-oxoxanthen-3-yl)prop-2-enamide
CID 23472032
4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide (CID 23471848) is 4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide is Cc1cc2oc3cc(NC(=O)c4ccc(Cl)cc4)ccc3c(=O)c2cc1Cl.
What is the InChIKey of 4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide?
The InChIKey is ZZWYMJHQPPBMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2NO3/c1-11-8-18-16(10-17(11)23)20(25)15-7-6-14(9-19(15)27-18)24-21(26)12-2-4-13(22)5-3-12/h2-10H,1H3,(H,24,26).
What are the key properties of 4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide?
4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide has a molecular weight of 398.25 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide is sourced from PubChem (CID 23471848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).