N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide

C31H26FN3O2 — CID 55898909

IUPACN-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide
SMILESCc1c(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C31H26FN3O2/c1-20-26(12-7-13-27(20)35-31(37)22-8-3-2-4-9-22)33-29(36)19-18-25-24-10-5-6-11-28(24)34-30(25)21-14-16-23(32)17-15-21/h2-17,34H,18-19H2,1H3,(H,33,36)(H,35,37)
InChIKeyLKGYPQVGYIWAPH-UHFFFAOYSA-N
MW491.57 g/mol
LogP7.11
Rot. Bonds7

About N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide

N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide (PubChem CID 55898909) has the molecular formula C31H26FN3O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide
PubChem CID55898909
Molecular FormulaC31H26FN3O2
Molecular Weight491.57 g/mol
Exact Mass491.20
IUPAC NameN-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide
SMILESCc1c(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C31H26FN3O2/c1-20-26(12-7-13-27(20)35-31(37)22-8-3-2-4-9-22)33-29(36)19-18-25-24-10-5-6-11-28(24)34-30(25)21-14-16-23(32)17-15-21/h2-17,34H,18-19H2,1H3,(H,33,36)(H,35,37)
InChIKeyLKGYPQVGYIWAPH-UHFFFAOYSA-N
XLogP7.11
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.57
LogP ≤ 57.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55671297
N-[3-[3-(1H-indol-3-yl)propanoylamino]-2-methylphenyl]benzamide
CID 55900685
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyridin-2-ylpropanamide
CID 56809441
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide
CID 47835724
N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 55412331
methyl N-[4-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]phenyl]-N-methylcarbamate
CID 60578471
N-(2-bromophenyl)-2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetamide
CID 10070927
N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78818180
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083531
N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827424
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17458105

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide?
The IUPAC name of N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide (CID 55898909) is N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide?
The canonical SMILES for N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide is Cc1c(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide?
The InChIKey is LKGYPQVGYIWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN3O2/c1-20-26(12-7-13-27(20)35-31(37)22-8-3-2-4-9-22)33-29(36)19-18-25-24-10-5-6-11-28(24)34-30(25)21-14-16-23(32)17-15-21/h2-17,34H,18-19H2,1H3,(H,33,36)(H,35,37).
What are the key properties of N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide?
N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide has a molecular weight of 491.57 g/mol, XLogP of 7.11, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide is sourced from PubChem (CID 55898909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).