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

C19H12ClFN2O3 — CID 20855545

IUPACN-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C19H12ClFN2O3/c1-23-15(18(24)22-10-6-7-14(21)13(20)8-10)9-12-17(23)11-4-2-3-5-16(11)26-19(12)25/h2-9H,1H3,(H,22,24)
InChIKeyNRJSJTLKTGBDNP-UHFFFAOYSA-N
MW370.77 g/mol
LogP4.33
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (PubChem CID 20855545) has the molecular formula C19H12ClFN2O3 and a molecular weight of 370.77 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
PubChem CID20855545
Molecular FormulaC19H12ClFN2O3
Molecular Weight370.77 g/mol
Exact Mass370.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C19H12ClFN2O3/c1-23-15(18(24)22-10-6-7-14(21)13(20)8-10)9-12-17(23)11-4-2-3-5-16(11)26-19(12)25/h2-9H,1H3,(H,22,24)
InChIKeyNRJSJTLKTGBDNP-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-fluorophenyl)-1-ethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 53054830
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
4-(3-chloro-4-fluoroanilino)chromen-2-one
CID 11312308
N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
CID 7200191
N-(3-chloro-4-fluorophenyl)-3-[(2-ethoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 7200193
3-[5-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490016
N-(4-chlorophenyl)-4-hydroxy-2-oxochromene-3-carboxamide
CID 54698718
N-(3-chloro-4-fluorophenyl)-5-methylfuran-2-carboxamide
CID 844340
N-(3-chloro-4-fluorophenyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162873
N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817718
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309970
2-[5-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485877

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (CID 20855545) is N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)cc2c(=O)oc3ccccc3c21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The InChIKey is NRJSJTLKTGBDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN2O3/c1-23-15(18(24)22-10-6-7-14(21)13(20)8-10)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-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
N-(3-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-(3-chloro-4-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 20855545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).