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

C23H25FN2O — CID 3553412

IUPACN-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccc(F)cc1
InChIInChI=1S/C23H25FN2O/c1-2-7-23(27)26(17-19-8-4-3-5-9-19)18-22-10-6-15-25(22)16-20-11-13-21(24)14-12-20/h3-6,8-15H,2,7,16-18H2,1H3
InChIKeyAPOOAFIZAZMZQZ-UHFFFAOYSA-N
MW364.46 g/mol
LogP5.00
Rot. Bonds8

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

N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide (PubChem CID 3553412) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide
PubChem CID3553412
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC NameN-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccc(F)cc1
InChIInChI=1S/C23H25FN2O/c1-2-7-23(27)26(17-19-8-4-3-5-9-19)18-22-10-6-15-25(22)16-20-11-13-21(24)14-12-20/h3-6,8-15H,2,7,16-18H2,1H3
InChIKeyAPOOAFIZAZMZQZ-UHFFFAOYSA-N
XLogP5.00
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)butanamide
CID 3937848
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide
CID 42764431
N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-propylprop-2-enamide
CID 5233887
N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-(3-methoxypropylamino)acetamide
CID 42768556
1-benzyl-3-(2-ethoxyphenyl)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 3458327
N-benzyl-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 3991691
(E)-N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-phenylprop-2-enamide
CID 6077373
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylhexanamide
CID 4542851
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide
CID 3680724
N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 4032346
N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-chloro-N-(3-methoxypropyl)benzamide
CID 5240954
N-benzyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]hexanamide
CID 5191452

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide?
The IUPAC name of N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide (CID 3553412) is N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide.
What is the SMILES notation for N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide?
The canonical SMILES for N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide is CCCC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccc(F)cc1.
What is the InChIKey of N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide?
The InChIKey is APOOAFIZAZMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-2-7-23(27)26(17-19-8-4-3-5-9-19)18-22-10-6-15-25(22)16-20-11-13-21(24)14-12-20/h3-6,8-15H,2,7,16-18H2,1H3.
What are the key properties of N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide?
N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide has a molecular weight of 364.46 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]butanamide is sourced from PubChem (CID 3553412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).