N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide

C19H12ClFN2O3 — CID 53004555

IUPACN-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(F)cc2Cl)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C19H12ClFN2O3/c1-23-15(18(24)22-14-7-6-10(21)8-13(14)20)9-12-17(23)11-4-2-3-5-16(11)26-19(12)25/h2-9H,1H3,(H,22,24)
InChIKeyOTJAVUNUTHIDBM-UHFFFAOYSA-N
MW370.77 g/mol
LogP4.33
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide

N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (PubChem CID 53004555) has the molecular formula C19H12ClFN2O3 and a molecular weight of 370.77 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
PubChem CID53004555
Molecular FormulaC19H12ClFN2O3
Molecular Weight370.77 g/mol
Exact Mass370.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(F)cc2Cl)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C19H12ClFN2O3/c1-23-15(18(24)22-14-7-6-10(21)8-13(14)20)9-12-17(23)11-4-2-3-5-16(11)26-19(12)25/h2-9H,1H3,(H,22,24)
InChIKeyOTJAVUNUTHIDBM-UHFFFAOYSA-N
XLogP4.33
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.77
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (CID 53004555) is N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is Cn1c(C(=O)Nc2ccc(F)cc2Cl)cc2c(=O)oc3ccccc3c21.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The InChIKey is OTJAVUNUTHIDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O3/c1-23-15(18(24)22-14-7-6-10(21)8-13(14)20)9-12-17(23)11-4-2-3-5-16(11)26-19(12)25/h2-9H,1H3,(H,22,24).
What are the key properties of N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide has a molecular weight of 370.77 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 53004555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).