N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide

C25H29FN2O3 — CID 5037355

IUPACN-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide
SMILESCCCCN(Cc1cccn1Cc1cccc(F)c1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C25H29FN2O3/c1-4-5-13-28(25(29)23-12-11-22(30-2)16-24(23)31-3)18-21-10-7-14-27(21)17-19-8-6-9-20(26)15-19/h6-12,14-16H,4-5,13,17-18H2,1-3H3
InChIKeyGIQHQVYWHUPCOJ-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.14
Rot. Bonds10

About N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide

N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide (PubChem CID 5037355) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide
PubChem CID5037355
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC NameN-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide
SMILESCCCCN(Cc1cccn1Cc1cccc(F)c1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C25H29FN2O3/c1-4-5-13-28(25(29)23-12-11-22(30-2)16-24(23)31-3)18-21-10-7-14-27(21)17-19-8-6-9-20(26)15-19/h6-12,14-16H,4-5,13,17-18H2,1-3H3
InChIKeyGIQHQVYWHUPCOJ-UHFFFAOYSA-N
XLogP5.14
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxybenzamide
CID 4561093
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]-3,5-dimethoxy-N-pentylbenzamide
CID 4541290
4-fluoro-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
CID 3618198
N-butyl-2-methoxy-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 5214112
N-benzyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxybenzamide
CID 3915746
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]thiophene-2-carboxamide
CID 4541066
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methylbutanamide
CID 3560933
2,4-dimethoxy-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3455351
N-butyl-3,4-dichloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3968837
N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 5219910
N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]dodecanamide
CID 4221112

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide (CID 5037355) is N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide is CCCCN(Cc1cccn1Cc1cccc(F)c1)C(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide?
The InChIKey is GIQHQVYWHUPCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-4-5-13-28(25(29)23-12-11-22(30-2)16-24(23)31-3)18-21-10-7-14-27(21)17-19-8-6-9-20(26)15-19/h6-12,14-16H,4-5,13,17-18H2,1-3H3.
What are the key properties of N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide?
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide has a molecular weight of 424.52 g/mol, XLogP of 5.14, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 5037355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).