1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide

C25H28FN3O2 — CID 42810346

IUPAC1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)c(N3CCOCC3)c(C)n2Cc2cccc(F)c2)c1
InChIInChI=1S/C25H28FN3O2/c1-17-6-4-9-22(14-17)27-25(30)24-18(2)23(28-10-12-31-13-11-28)19(3)29(24)16-20-7-5-8-21(26)15-20/h4-9,14-15H,10-13,16H2,1-3H3,(H,27,30)
InChIKeyRSRKBECYPGWQJS-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.69
Rot. Bonds5

About 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide

1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide (PubChem CID 42810346) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide
PubChem CID42810346
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)c(N3CCOCC3)c(C)n2Cc2cccc(F)c2)c1
InChIInChI=1S/C25H28FN3O2/c1-17-6-4-9-22(14-17)27-25(30)24-18(2)23(28-10-12-31-13-11-28)19(3)29(24)16-20-7-5-8-21(26)15-20/h4-9,14-15H,10-13,16H2,1-3H3,(H,27,30)
InChIKeyRSRKBECYPGWQJS-UHFFFAOYSA-N
XLogP4.69
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42810347
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 42792459
[3,5-dimethyl-1-[(3-methylphenyl)methyl]-4-morpholin-4-ylpyrrol-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7206005
1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 4660277
1-[(2,6-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42792470
3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 42789806
[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrol-2-yl]-morpholin-4-ylmethanone
CID 42789748
1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 42789760
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42810341
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42789728
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
[3,5-dimethyl-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3499353

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide (CID 42810346) is 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide is Cc1cccc(NC(=O)c2c(C)c(N3CCOCC3)c(C)n2Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide?
The InChIKey is RSRKBECYPGWQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-17-6-4-9-22(14-17)27-25(30)24-18(2)23(28-10-12-31-13-11-28)19(3)29(24)16-20-7-5-8-21(26)15-20/h4-9,14-15H,10-13,16H2,1-3H3,(H,27,30).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide?
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 42810346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).