4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide

C24H26F2N2O — CID 3618198

IUPAC4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1cccn1Cc1cccc(F)c1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H26F2N2O/c1-2-3-4-14-28(24(29)20-10-12-21(25)13-11-20)18-23-9-6-15-27(23)17-19-7-5-8-22(26)16-19/h5-13,15-16H,2-4,14,17-18H2,1H3
InChIKeyCDPRMWULBRBRMI-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.65
Rot. Bonds9

About 4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide

4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide (PubChem CID 3618198) has the molecular formula C24H26F2N2O and a molecular weight of 396.48 g/mol. Its IUPAC name is 4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
PubChem CID3618198
Molecular FormulaC24H26F2N2O
Molecular Weight396.48 g/mol
Exact Mass396.20
IUPAC Name4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
SMILESCCCCCN(Cc1cccn1Cc1cccc(F)c1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H26F2N2O/c1-2-3-4-14-28(24(29)20-10-12-21(25)13-11-20)18-23-9-6-15-27(23)17-19-7-5-8-22(26)16-19/h5-13,15-16H,2-4,14,17-18H2,1H3
InChIKeyCDPRMWULBRBRMI-UHFFFAOYSA-N
XLogP5.65
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-dimethoxy-N-pentylbenzamide
CID 4541290
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide
CID 5010882
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-fluoro-N-pentylbenzamide
CID 4212490
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 4684225
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylacetamide
CID 42764328
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxybenzamide
CID 4561093
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-3-phenylpropanamide
CID 5145929
N-butyl-3-fluoro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42763013
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-propylhexanamide
CID 4243560
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide
CID 4541066
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 5030621
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutanamide
CID 3560933

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide?
The IUPAC name of 4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide (CID 3618198) is 4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide.
What is the SMILES notation for 4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide?
The canonical SMILES for 4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide is CCCCCN(Cc1cccn1Cc1cccc(F)c1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide?
The InChIKey is CDPRMWULBRBRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O/c1-2-3-4-14-28(24(29)20-10-12-21(25)13-11-20)18-23-9-6-15-27(23)17-19-7-5-8-22(26)16-19/h5-13,15-16H,2-4,14,17-18H2,1H3.
What are the key properties of 4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide?
4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide has a molecular weight of 396.48 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide is sourced from PubChem (CID 3618198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).