4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide

C31H27FN2O2 — CID 42698598

IUPAC4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(CCc1c[nH]c2ccccc12)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C31H27FN2O2/c32-27-14-12-25(13-15-27)31(35)34(19-18-26-20-33-30-9-5-4-8-29(26)30)21-23-10-16-28(17-11-23)36-22-24-6-2-1-3-7-24/h1-17,20,33H,18-19,21-22H2
InChIKeyADRHZYJLKDOMFX-UHFFFAOYSA-N
MW478.57 g/mol
LogP6.77
Rot. Bonds9

About 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide

4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide (PubChem CID 42698598) has the molecular formula C31H27FN2O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide
PubChem CID42698598
Molecular FormulaC31H27FN2O2
Molecular Weight478.57 g/mol
Exact Mass478.21
IUPAC Name4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide
SMILESO=C(c1ccc(F)cc1)N(CCc1c[nH]c2ccccc12)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C31H27FN2O2/c32-27-14-12-25(13-15-27)31(35)34(19-18-26-20-33-30-9-5-4-8-29(26)30)21-23-10-16-28(17-11-23)36-22-24-6-2-1-3-7-24/h1-17,20,33H,18-19,21-22H2
InChIKeyADRHZYJLKDOMFX-UHFFFAOYSA-N
XLogP6.77
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 42777098
4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701759
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]naphthalene-1-carboxamide
CID 42777758
N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4131063
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3650559
4-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 42777113
N,4-dibutyl-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 5077282
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 5113360
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide
CID 42777762
N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(3-phenylmethoxyphenyl)methyl]butanamide
CID 42697198
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-hexyl-N-(2-methoxyethyl)benzamide
CID 3396512
3-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 5046594

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide (CID 42698598) is 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide is O=C(c1ccc(F)cc1)N(CCc1c[nH]c2ccccc12)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
The InChIKey is ADRHZYJLKDOMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN2O2/c32-27-14-12-25(13-15-27)31(35)34(19-18-26-20-33-30-9-5-4-8-29(26)30)21-23-10-16-28(17-11-23)36-22-24-6-2-1-3-7-24/h1-17,20,33H,18-19,21-22H2.
What are the key properties of 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide?
4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide has a molecular weight of 478.57 g/mol, XLogP of 6.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-phenylmethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 42698598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).