3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide

C31H28FN3O — CID 5003122

IUPAC3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCCc1ccccn1
InChIInChI=1S/C31H28FN3O/c32-25-15-13-24(14-16-25)28(20-31(36)34-19-17-26-10-6-7-18-33-26)29-22-35(21-23-8-2-1-3-9-23)30-12-5-4-11-27(29)30/h1-16,18,22,28H,17,19-21H2,(H,34,36)
InChIKeyDCKMVESHYORCHR-UHFFFAOYSA-N
MW477.58 g/mol
LogP6.10
Rot. Bonds9

About 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide

3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 5003122) has the molecular formula C31H28FN3O and a molecular weight of 477.58 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID5003122
Molecular FormulaC31H28FN3O
Molecular Weight477.58 g/mol
Exact Mass477.22
IUPAC Name3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CC(c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCCc1ccccn1
InChIInChI=1S/C31H28FN3O/c32-25-15-13-24(14-16-25)28(20-31(36)34-19-17-26-10-6-7-18-33-26)29-22-35(21-23-8-2-1-3-9-23)30-12-5-4-11-27(29)30/h1-16,18,22,28H,17,19-21H2,(H,34,36)
InChIKeyDCKMVESHYORCHR-UHFFFAOYSA-N
XLogP6.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.58
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(4-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 98443619
3-(1-benzylindol-3-yl)-N-(2-pyridin-2-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90488623
3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3880798
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 83288318
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-phenylethyl)propanamide
CID 92917262
3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 42801417
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 90488621
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)-N-(2-phenylethyl)propanamide
CID 5000823
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
(3S)-3-(1-benzyl-5-nitroindol-3-yl)-3-(4-fluorophenyl)-N-(2-phenylethyl)propanamide
CID 93120202
3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide
CID 83285095
(3R)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-pentylpropanamide
CID 93002169

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide (CID 5003122) is 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide is O=C(CC(c1ccc(F)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCCc1ccccn1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is DCKMVESHYORCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN3O/c32-25-15-13-24(14-16-25)28(20-31(36)34-19-17-26-10-6-7-18-33-26)29-22-35(21-23-8-2-1-3-9-23)30-12-5-4-11-27(29)30/h1-16,18,22,28H,17,19-21H2,(H,34,36).
What are the key properties of 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide?
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 477.58 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 5003122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).