7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide

C23H25FN2O3 — CID 30522477

IUPAC7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1[C@H](CNC(=O)c1oc2c(F)cccc2c1C)N1CCCC1
InChIInChI=1S/C23H25FN2O3/c1-15-16-9-7-10-18(24)22(16)29-21(15)23(27)25-14-19(26-12-5-6-13-26)17-8-3-4-11-20(17)28-2/h3-4,7-11,19H,5-6,12-14H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeySMMPOGGECPVJRY-IBGZPJMESA-N
MW396.46 g/mol
LogP4.46
Rot. Bonds6

About 7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide

7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 30522477) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID30522477
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1[C@H](CNC(=O)c1oc2c(F)cccc2c1C)N1CCCC1
InChIInChI=1S/C23H25FN2O3/c1-15-16-9-7-10-18(24)22(16)29-21(15)23(27)25-14-19(26-12-5-6-13-26)17-8-3-4-11-20(17)28-2/h3-4,7-11,19H,5-6,12-14H2,1-2H3,(H,25,27)/t19-/m0/s1
InChIKeySMMPOGGECPVJRY-IBGZPJMESA-N
XLogP4.46
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide 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

2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
2,3-dimethoxy-N-(2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl)benzamide
CID 16813216
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
3,4,5-trimethoxy-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzamide
CID 41453918
5-fluoro-2-hydroxy-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 95787960
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17013868
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylthiophene-2-carboxamide
CID 51164557

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 30522477) is 7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide is COc1ccccc1[C@H](CNC(=O)c1oc2c(F)cccc2c1C)N1CCCC1.
What is the InChIKey of 7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SMMPOGGECPVJRY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-15-16-9-7-10-18(24)22(16)29-21(15)23(27)25-14-19(26-12-5-6-13-26)17-8-3-4-11-20(17)28-2/h3-4,7-11,19H,5-6,12-14H2,1-2H3,(H,25,27)/t19-/m0/s1.
What are the key properties of 7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide?
7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 30522477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).