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

C20H14ClFN2O3 — CID 53054830

IUPACN-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(F)cc2Cl)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C20H14ClFN2O3/c1-2-24-16(19(25)23-15-8-7-11(22)9-14(15)21)10-13-18(24)12-5-3-4-6-17(12)27-20(13)26/h3-10H,2H2,1H3,(H,23,25)
InChIKeyZALORPRMHWMLPW-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.81
Rot. Bonds3

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

N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (PubChem CID 53054830) has the molecular formula C20H14ClFN2O3 and a molecular weight of 384.79 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
PubChem CID53054830
Molecular FormulaC20H14ClFN2O3
Molecular Weight384.79 g/mol
Exact Mass384.07
IUPAC NameN-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCCn1c(C(=O)Nc2ccc(F)cc2Cl)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C20H14ClFN2O3/c1-2-24-16(19(25)23-15-8-7-11(22)9-14(15)21)10-13-18(24)12-5-3-4-6-17(12)27-20(13)26/h3-10H,2H2,1H3,(H,23,25)
InChIKeyZALORPRMHWMLPW-UHFFFAOYSA-N
XLogP4.81
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide
CID 11437974
N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 20855545
N-(3-chlorophenyl)-1-ethyl-N-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 53054871
N-(2-chloro-4-fluorophenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4810793
N-(2,4-difluorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54737498
1-methyl-4-oxo-N-propan-2-ylchromeno[4,3-b]pyrrole-2-carboxamide
CID 53004565
4-bromo-N-(2-chloro-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43641431
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-oxochromene-3-carboxylate
CID 7785519
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
3-chloro-N-(2-chloro-4-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 26364259
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
N-(2,4-dichlorophenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685317

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (CID 53054830) is N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is CCn1c(C(=O)Nc2ccc(F)cc2Cl)cc2c(=O)oc3ccccc3c21.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The InChIKey is ZALORPRMHWMLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O3/c1-2-24-16(19(25)23-15-8-7-11(22)9-14(15)21)10-13-18(24)12-5-3-4-6-17(12)27-20(13)26/h3-10H,2H2,1H3,(H,23,25).
What are the key properties of N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide has a molecular weight of 384.79 g/mol, XLogP of 4.81, 3 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-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 53054830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).