2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

C23H25FN2O2 — CID 3949109

IUPAC2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCOCCN(Cc1cccn1Cc1ccc(C)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C23H25FN2O2/c1-18-9-11-19(12-10-18)16-25-13-5-6-20(25)17-26(14-15-28-2)23(27)21-7-3-4-8-22(21)24/h3-13H,14-17H2,1-2H3
InChIKeyQRQFFKOEXQTJBA-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.27
Rot. Bonds8

About 2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (PubChem CID 3949109) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
PubChem CID3949109
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCOCCN(Cc1cccn1Cc1ccc(C)cc1)C(=O)c1ccccc1F
InChIInChI=1S/C23H25FN2O2/c1-18-9-11-19(12-10-18)16-25-13-5-6-20(25)17-26(14-15-28-2)23(27)21-7-3-4-8-22(21)24/h3-13H,14-17H2,1-2H3
InChIKeyQRQFFKOEXQTJBA-UHFFFAOYSA-N
XLogP4.27
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethoxy-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3455351
3-chloro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3448969
2-bromo-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)benzamide
CID 3472822
N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 42663070
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 4612906
N-benzyl-2-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 4297414
1-(2-methoxyethyl)-1-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 3894969
N-[(1-benzylpyrrol-2-yl)methyl]-2-fluoro-N-prop-2-enylbenzamide
CID 810272
N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide
CID 42762712
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methoxypropyl)acetamide
CID 42762644
5-[[2-[[(2-fluorobenzoyl)-propylamino]methyl]pyrrol-1-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42787183
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819195

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (CID 3949109) is 2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is COCCN(Cc1cccn1Cc1ccc(C)cc1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The InChIKey is QRQFFKOEXQTJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-18-9-11-19(12-10-18)16-25-13-5-6-20(25)17-26(14-15-28-2)23(27)21-7-3-4-8-22(21)24/h3-13H,14-17H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide has a molecular weight of 380.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is sourced from PubChem (CID 3949109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).