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

C25H29FN2O — CID 4684225

IUPACN-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
SMILESCCCCCN(Cc1cccn1Cc1ccc(F)cc1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H29FN2O/c1-3-4-5-16-28(25(29)22-12-8-20(2)9-13-22)19-24-7-6-17-27(24)18-21-10-14-23(26)15-11-21/h6-15,17H,3-5,16,18-19H2,1-2H3
InChIKeyDEFIMBBSWSHQDM-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.82
Rot. Bonds9

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

N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide (PubChem CID 4684225) has the molecular formula C25H29FN2O and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
PubChem CID4684225
Molecular FormulaC25H29FN2O
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC NameN-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
SMILESCCCCCN(Cc1cccn1Cc1ccc(F)cc1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C25H29FN2O/c1-3-4-5-16-28(25(29)22-12-8-20(2)9-13-22)19-24-7-6-17-27(24)18-21-10-14-23(26)15-11-21/h6-15,17H,3-5,16,18-19H2,1-2H3
InChIKeyDEFIMBBSWSHQDM-UHFFFAOYSA-N
XLogP5.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.82
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

4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
CID 3618198
4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
CID 4317196
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-propylbenzamide
CID 5010882
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 5030621
4-butyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 5028064
4-fluoro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 42762727
3,4-dichloro-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
CID 3672650
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-fluoro-N-pentylbenzamide
CID 4212490
4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3980417
5-[[2-[[(4-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-pentylfuran-2-carboxamide
CID 42787109
3-(3-fluorophenyl)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-1-pentylurea
CID 3268464
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)-4-nitrobenzamide
CID 42663042

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide?
The IUPAC name of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide (CID 4684225) is N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide.
What is the SMILES notation for N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide?
The canonical SMILES for N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide is CCCCCN(Cc1cccn1Cc1ccc(F)cc1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide?
The InChIKey is DEFIMBBSWSHQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O/c1-3-4-5-16-28(25(29)22-12-8-20(2)9-13-22)19-24-7-6-17-27(24)18-21-10-14-23(26)15-11-21/h6-15,17H,3-5,16,18-19H2,1-2H3.
What are the key properties of N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide?
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide has a molecular weight of 392.52 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide is sourced from PubChem (CID 4684225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).