N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide

C25H22FN3O3 — CID 78890740

IUPACN-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3ccc(C(=O)NCc4ccccc4F)cc3)c2c1
InChIInChI=1S/C25H22FN3O3/c1-32-20-10-11-23-21(13-20)18(15-27-23)12-24(30)29-19-8-6-16(7-9-19)25(31)28-14-17-4-2-3-5-22(17)26/h2-11,13,15,27H,12,14H2,1H3,(H,28,31)(H,29,30)
InChIKeyDSZWCBUMSQHZAW-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.43
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide

N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide (PubChem CID 78890740) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide
PubChem CID78890740
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide
SMILESCOc1ccc2[nH]cc(CC(=O)Nc3ccc(C(=O)NCc4ccccc4F)cc3)c2c1
InChIInChI=1S/C25H22FN3O3/c1-32-20-10-11-23-21(13-20)18(15-27-23)12-24(30)29-19-8-6-16(7-9-19)25(31)28-14-17-4-2-3-5-22(17)26/h2-11,13,15,27H,12,14H2,1H3,(H,28,31)(H,29,30)
InChIKeyDSZWCBUMSQHZAW-UHFFFAOYSA-N
XLogP4.43
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
N-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119718423
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110910870
N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
methyl 2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209687
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide (CID 78890740) is N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide is COc1ccc2[nH]cc(CC(=O)Nc3ccc(C(=O)NCc4ccccc4F)cc3)c2c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide?
The InChIKey is DSZWCBUMSQHZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-32-20-10-11-23-21(13-20)18(15-27-23)12-24(30)29-19-8-6-16(7-9-19)25(31)28-14-17-4-2-3-5-22(17)26/h2-11,13,15,27H,12,14H2,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide?
N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide has a molecular weight of 431.47 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 78890740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).