4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide

C19H22Cl2FN3O2 — CID 52501681

IUPAC4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESC[C@@H]1CN([C@@H](CNC(=O)c2cc(Cl)cn2C)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C19H22Cl2FN3O2/c1-12-10-25(6-7-27-12)17(18-14(21)4-3-5-15(18)22)9-23-19(26)16-8-13(20)11-24(16)2/h3-5,8,11-12,17H,6-7,9-10H2,1-2H3,(H,23,26)/t12-,17+/m1/s1
InChIKeyHXNMJRMDCPHYHW-PXAZEXFGSA-N
MW414.31 g/mol
LogP3.66
Rot. Bonds5

About 4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide

4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 52501681) has the molecular formula C19H22Cl2FN3O2 and a molecular weight of 414.31 g/mol. Its IUPAC name is 4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID52501681
Molecular FormulaC19H22Cl2FN3O2
Molecular Weight414.31 g/mol
Exact Mass413.11
IUPAC Name4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESC[C@@H]1CN([C@@H](CNC(=O)c2cc(Cl)cn2C)c2c(F)cccc2Cl)CCO1
InChIInChI=1S/C19H22Cl2FN3O2/c1-12-10-25(6-7-27-12)17(18-14(21)4-3-5-15(18)22)9-23-19(26)16-8-13(20)11-24(16)2/h3-5,8,11-12,17H,6-7,9-10H2,1-2H3,(H,23,26)/t12-,17+/m1/s1
InChIKeyHXNMJRMDCPHYHW-PXAZEXFGSA-N
XLogP3.66
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]benzamide
CID 47035989
2-chloro-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-6-fluorobenzamide
CID 55714599
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]acetamide
CID 51080950
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86990626
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513372
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 154750278
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-3-methylbutanamide
CID 94866265
2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119849364
(2S)-2-amino-N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-3,3-dimethylbutanamide
CID 119849378
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-5-methylsulfonylfuran-2-carboxamide
CID 86944324
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(methylamino)butanamide
CID 119849366
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 60556168

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide (CID 52501681) is 4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide is C[C@@H]1CN([C@@H](CNC(=O)c2cc(Cl)cn2C)c2c(F)cccc2Cl)CCO1.
What is the InChIKey of 4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is HXNMJRMDCPHYHW-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H22Cl2FN3O2/c1-12-10-25(6-7-27-12)17(18-14(21)4-3-5-15(18)22)9-23-19(26)16-8-13(20)11-24(16)2/h3-5,8,11-12,17H,6-7,9-10H2,1-2H3,(H,23,26)/t12-,17+/m1/s1.
What are the key properties of 4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide?
4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 414.31 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-[(2R)-2-methylmorpholin-4-yl]ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 52501681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).