6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide

C34H23Cl2N2O5P — CID 11273702

IUPAC6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide
SMILESO=C1Oc2c(cc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H23Cl2N2O5P/c35-23-18-22-19-31(34(40)43-32(22)28(20-23)33(39)37-30-17-16-24(38(41)42)21-29(30)36)44(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-18,20-21H,19H2,(H,37,39)
InChIKeyDIZJQSLXFZFACU-UHFFFAOYSA-N
MW641.45 g/mol
LogP6.78
Rot. Bonds6

About 6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide

6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide (PubChem CID 11273702) has the molecular formula C34H23Cl2N2O5P and a molecular weight of 641.45 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide
PubChem CID11273702
Molecular FormulaC34H23Cl2N2O5P
Molecular Weight641.45 g/mol
Exact Mass640.07
IUPAC Name6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide
SMILESO=C1Oc2c(cc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H23Cl2N2O5P/c35-23-18-22-19-31(34(40)43-32(22)28(20-23)33(39)37-30-17-16-24(38(41)42)21-29(30)36)44(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-18,20-21H,19H2,(H,37,39)
InChIKeyDIZJQSLXFZFACU-UHFFFAOYSA-N
XLogP6.78
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.45
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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CID 4594592
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CID 11169937
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-3-[3-oxo-2-(triphenyl-λ5-phosphanylidene)propyl]benzamide
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CID 71312570
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CID 5193542
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2-[(2-chlorobenzoyl)amino]-5-nitrobenzoic acid
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N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 1354566

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide?
The IUPAC name of 6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide (CID 11273702) is 6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide?
The canonical SMILES for 6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide is O=C1Oc2c(cc(Cl)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide?
The InChIKey is DIZJQSLXFZFACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23Cl2N2O5P/c35-23-18-22-19-31(34(40)43-32(22)28(20-23)33(39)37-30-17-16-24(38(41)42)21-29(30)36)44(25-10-4-1-5-11-25,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-18,20-21H,19H2,(H,37,39).
What are the key properties of 6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide?
6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide has a molecular weight of 641.45 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-4-nitrophenyl)-2-oxo-3-(triphenyl-λ5-phosphanylidene)-4H-chromene-8-carboxamide is sourced from PubChem (CID 11273702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).