4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C19H23FN2O3 — CID 18115687

IUPAC4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C19H23FN2O3/c1-6-22(10-14-7-8-16(25-5)15(20)9-14)19(24)18-11(2)17(13(4)23)12(3)21-18/h7-9,21H,6,10H2,1-5H3
InChIKeyANQFQGXSDXRWQA-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.64
Rot. Bonds6

About 4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 18115687) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID18115687
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C19H23FN2O3/c1-6-22(10-14-7-8-16(25-5)15(20)9-14)19(24)18-11(2)17(13(4)23)12(3)21-18/h7-9,21H,6,10H2,1-5H3
InChIKeyANQFQGXSDXRWQA-UHFFFAOYSA-N
XLogP3.64
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 18193527
[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8982252
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 60652216
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 18115704
2-amino-N,2-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 79814219
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9462623
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-[(3,4-difluorophenyl)methyl]amino]propanoic acid
CID 119208068
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(methylamino)propanamide
CID 55096948
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847075

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 18115687) is 4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is ANQFQGXSDXRWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-6-22(10-14-7-8-16(25-5)15(20)9-14)19(24)18-11(2)17(13(4)23)12(3)21-18/h7-9,21H,6,10H2,1-5H3.
What are the key properties of 4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18115687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).