N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide

C23H26FN3O3 — CID 8846276

IUPACN-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCc1cc(C(=O)[C@H](C)N(C)CC(=O)Nc2cccc(F)c2)c(C)n1Cc1ccco1
InChIInChI=1S/C23H26FN3O3/c1-15-11-21(16(2)27(15)13-20-9-6-10-30-20)23(29)17(3)26(4)14-22(28)25-19-8-5-7-18(24)12-19/h5-12,17H,13-14H2,1-4H3,(H,25,28)/t17-/m0/s1
InChIKeyRDHHCXUYACCUAC-KRWDZBQOSA-N
MW411.48 g/mol
LogP4.03
Rot. Bonds8

About N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide

N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide (PubChem CID 8846276) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide
PubChem CID8846276
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC NameN-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCc1cc(C(=O)[C@H](C)N(C)CC(=O)Nc2cccc(F)c2)c(C)n1Cc1ccco1
InChIInChI=1S/C23H26FN3O3/c1-15-11-21(16(2)27(15)13-20-9-6-10-30-20)23(29)17(3)26(4)14-22(28)25-19-8-5-7-18(24)12-19/h5-12,17H,13-14H2,1-4H3,(H,25,28)/t17-/m0/s1
InChIKeyRDHHCXUYACCUAC-KRWDZBQOSA-N
XLogP4.03
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide 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-[2-(3,4-diethoxyanilino)-2-oxoethyl]-1-(furan-2-ylmethyl)-N,2,5-trimethylpyrrole-3-carboxamide
CID 32755216
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 43022678
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
CID 9262561
(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8847225
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 32962209
[2-(4-ethylanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731544
(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 8676303
[2-(3-nitroanilino)-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731690

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide (CID 8846276) is N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide is Cc1cc(C(=O)[C@H](C)N(C)CC(=O)Nc2cccc(F)c2)c(C)n1Cc1ccco1.
What is the InChIKey of N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
The InChIKey is RDHHCXUYACCUAC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-15-11-21(16(2)27(15)13-20-9-6-10-30-20)23(29)17(3)26(4)14-22(28)25-19-8-5-7-18(24)12-19/h5-12,17H,13-14H2,1-4H3,(H,25,28)/t17-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide?
N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide has a molecular weight of 411.48 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[[(2S)-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-oxopropan-2-yl]-methylamino]acetamide is sourced from PubChem (CID 8846276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).