2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide

C21H22FN3O — CID 144537748

IUPAC2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@@H]1CCNC1)C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1F
InChIInChI=1S/C21H22FN3O/c1-25(13-14-6-8-23-12-14)21(26)18-4-2-16(11-19(18)22)15-3-5-20-17(10-15)7-9-24-20/h2-5,7,9-11,14,23-24H,6,8,12-13H2,1H3/t14-/m1/s1
InChIKeyQRNUNOYIZFJMDC-CQSZACIVSA-N
MW351.43 g/mol
LogP3.66
Rot. Bonds4

About 2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide

2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide (PubChem CID 144537748) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
PubChem CID144537748
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@@H]1CCNC1)C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1F
InChIInChI=1S/C21H22FN3O/c1-25(13-14-6-8-23-12-14)21(26)18-4-2-16(11-19(18)22)15-3-5-20-17(10-15)7-9-24-20/h2-5,7,9-11,14,23-24H,6,8,12-13H2,1H3/t14-/m1/s1
InChIKeyQRNUNOYIZFJMDC-CQSZACIVSA-N
XLogP3.66
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 123315545
4-(1-benzofuran-5-yl)-2-fluoro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 144537743
N-ethyl-4-(1H-indol-5-yl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 71276788
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
4-(1-benzofuran-5-yl)-N,2-dimethyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 71276798
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide (CID 144537748) is 2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide is CN(C[C@@H]1CCNC1)C(=O)c1ccc(-c2ccc3[nH]ccc3c2)cc1F.
What is the InChIKey of 2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is QRNUNOYIZFJMDC-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-25(13-14-6-8-23-12-14)21(26)18-4-2-16(11-19(18)22)15-3-5-20-17(10-15)7-9-24-20/h2-5,7,9-11,14,23-24H,6,8,12-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide?
2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 351.43 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1H-indol-5-yl)-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 144537748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).