2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide

C26H25FN2O3 — CID 42656999

IUPAC2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(CCc2c[nH]c3ccc(OC)cc23)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C26H25FN2O3/c1-31-20-9-7-18(8-10-20)17-29(26(30)22-5-3-4-6-24(22)27)14-13-19-16-28-25-12-11-21(32-2)15-23(19)25/h3-12,15-16,28H,13-14,17H2,1-2H3
InChIKeyMXIGYLNCRRSSJR-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.21
Rot. Bonds8

About 2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide

2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 42656999) has the molecular formula C26H25FN2O3 and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID42656999
Molecular FormulaC26H25FN2O3
Molecular Weight432.50 g/mol
Exact Mass432.18
IUPAC Name2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(CCc2c[nH]c3ccc(OC)cc23)C(=O)c2ccccc2F)cc1
InChIInChI=1S/C26H25FN2O3/c1-31-20-9-7-18(8-10-20)17-29(26(30)22-5-3-4-6-24(22)27)14-13-19-16-28-25-12-11-21(32-2)15-23(19)25/h3-12,15-16,28H,13-14,17H2,1-2H3
InChIKeyMXIGYLNCRRSSJR-UHFFFAOYSA-N
XLogP5.21
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-fluoro-N-propylbenzamide
CID 4175232
3-[2,6-di(propan-2-yl)phenyl]-1-[(4-fluorophenyl)methyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 42696027
N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide
CID 42695765
N-butyl-2-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4534995
N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide
CID 1057302
N-benzyl-N-(2-hydroxyethyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110890145
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2,4-dimethoxy-N-(3-methoxypropyl)benzamide
CID 5060614
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide
CID 42777762
N-[(4-ethoxyphenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 10112019
N-[(4-ethoxyphenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 42695733
2-fluoro-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 3568033
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]naphthalene-1-carboxamide
CID 42777758

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide (CID 42656999) is 2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(CCc2c[nH]c3ccc(OC)cc23)C(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is MXIGYLNCRRSSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O3/c1-31-20-9-7-18(8-10-20)17-29(26(30)22-5-3-4-6-24(22)27)14-13-19-16-28-25-12-11-21(32-2)15-23(19)25/h3-12,15-16,28H,13-14,17H2,1-2H3.
What are the key properties of 2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide?
2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 432.50 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 42656999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).