4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide

C17H19Cl2N3O2 — CID 154773651

IUPAC4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C17H19Cl2N3O2/c1-11-9-12(22-5-7-24-8-6-22)3-4-14(11)20-17(23)15-10-13(18)16(19)21(15)2/h3-4,9-10H,5-8H2,1-2H3,(H,20,23)
InChIKeyXCWWPHKTDIVPAO-UHFFFAOYSA-N
MW368.26 g/mol
LogP3.73
Rot. Bonds3

About 4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide

4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide (PubChem CID 154773651) has the molecular formula C17H19Cl2N3O2 and a molecular weight of 368.26 g/mol. Its IUPAC name is 4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
PubChem CID154773651
Molecular FormulaC17H19Cl2N3O2
Molecular Weight368.26 g/mol
Exact Mass367.09
IUPAC Name4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
SMILESCc1cc(N2CCOCC2)ccc1NC(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C17H19Cl2N3O2/c1-11-9-12(22-5-7-24-8-6-22)3-4-14(11)20-17(23)15-10-13(18)16(19)21(15)2/h3-4,9-10H,5-8H2,1-2H3,(H,20,23)
InChIKeyXCWWPHKTDIVPAO-UHFFFAOYSA-N
XLogP3.73
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-5-morpholin-4-ylbenzoate
CID 55670935
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
1-tert-butyl-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 78896475
4-bromo-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide
CID 55620636
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 136539683
N-(2-methyl-4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55632664
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
1-(2-chlorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrazole-4-carboxamide
CID 49159995
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methylbenzamide
CID 110362732
4-chloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18127990
N-(2-bromo-4-methylphenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 55600384

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide (CID 154773651) is 4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide is Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(Cl)c(Cl)n1C.
What is the InChIKey of 4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
The InChIKey is XCWWPHKTDIVPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2/c1-11-9-12(22-5-7-24-8-6-22)3-4-14(11)20-17(23)15-10-13(18)16(19)21(15)2/h3-4,9-10H,5-8H2,1-2H3,(H,20,23).
What are the key properties of 4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide?
4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide has a molecular weight of 368.26 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 154773651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).