4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide

C17H18Cl2FN3O2 — CID 86917092

IUPAC4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C17H18Cl2FN3O2/c18-13-9-14(22-16(13)19)17(24)21-10-15(23-5-7-25-8-6-23)11-1-3-12(20)4-2-11/h1-4,9,15,22H,5-8,10H2,(H,21,24)
InChIKeyJJWXLZMLWBRRBC-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.26
Rot. Bonds5

About 4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide (PubChem CID 86917092) has the molecular formula C17H18Cl2FN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide
PubChem CID86917092
Molecular FormulaC17H18Cl2FN3O2
Molecular Weight386.25 g/mol
Exact Mass385.08
IUPAC Name4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C17H18Cl2FN3O2/c18-13-9-14(22-16(13)19)17(24)21-10-15(23-5-7-25-8-6-23)11-1-3-12(20)4-2-11/h1-4,9,15,22H,5-8,10H2,(H,21,24)
InChIKeyJJWXLZMLWBRRBC-UHFFFAOYSA-N
XLogP3.26
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 17460307
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-6-methyl-1H-indole-2-carboxamide
CID 55559687
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 112503799
2-chloro-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]pyridine-3-carboxamide
CID 2313697
5-chloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 4790233
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
2,2-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 3673625
5-bromo-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 94332656
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4,5-dimethylthiophene-2-carboxamide
CID 86978865
2-(4-chlorobenzoyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 2314369
3-(2,4-dichlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 55574928

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide (CID 86917092) is 4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JJWXLZMLWBRRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN3O2/c18-13-9-14(22-16(13)19)17(24)21-10-15(23-5-7-25-8-6-23)11-1-3-12(20)4-2-11/h1-4,9,15,22H,5-8,10H2,(H,21,24).
What are the key properties of 4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 86917092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).