1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide

C26H30FN3O2 — CID 4660277

IUPAC1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCc1c(N2CCOCC2)c(C)n(Cc2ccc(F)cc2)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C26H30FN3O2/c1-19-24(29-14-16-32-17-15-29)20(2)30(18-22-8-10-23(27)11-9-22)25(19)26(31)28-13-12-21-6-4-3-5-7-21/h3-11H,12-18H2,1-2H3,(H,28,31)
InChIKeyKOCXCSKMFAHUSH-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.10
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide

1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide (PubChem CID 4660277) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide
PubChem CID4660277
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC Name1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCc1c(N2CCOCC2)c(C)n(Cc2ccc(F)cc2)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C26H30FN3O2/c1-19-24(29-14-16-32-17-15-29)20(2)30(18-22-8-10-23(27)11-9-22)25(19)26(31)28-13-12-21-6-4-3-5-7-21/h3-11H,12-18H2,1-2H3,(H,28,31)
InChIKeyKOCXCSKMFAHUSH-UHFFFAOYSA-N
XLogP4.10
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42792470
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42789728
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 42792459
ethyl 4-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carbonyl]piperazine-1-carboxylate
CID 42789701
3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 46134442
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42810346
1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrrole-2-carboxamide
CID 42789760
N-(1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42810347
3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 42789806
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
ethyl 4-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carbonyl]piperazine-1-carboxylate
CID 42789733
1-[4-[4-(4-ethylpiperazin-1-yl)-1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrrole-2-carbonyl]piperazin-1-yl]ethanone
CID 42789817

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide (CID 4660277) is 1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide is Cc1c(N2CCOCC2)c(C)n(Cc2ccc(F)cc2)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is KOCXCSKMFAHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c1-19-24(29-14-16-32-17-15-29)20(2)30(18-22-8-10-23(27)11-9-22)25(19)26(31)28-13-12-21-6-4-3-5-7-21/h3-11H,12-18H2,1-2H3,(H,28,31).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide?
1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 435.54 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 4660277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).