N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide

C23H20FN3O — CID 143608564

IUPACN-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)cc(-c1ccccc1F)n2CN
InChIInChI=1S/C23H20FN3O/c1-15-6-2-3-7-18(15)23(28)26-17-10-11-21-16(12-17)13-22(27(21)14-25)19-8-4-5-9-20(19)24/h2-13H,14,25H2,1H3,(H,26,28)
InChIKeyGZFWOHWVNRDPLX-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.92
Rot. Bonds4

About N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide

N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide (PubChem CID 143608564) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide
PubChem CID143608564
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC NameN-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)cc(-c1ccccc1F)n2CN
InChIInChI=1S/C23H20FN3O/c1-15-6-2-3-7-18(15)23(28)26-17-10-11-21-16(12-17)13-22(27(21)14-25)19-8-4-5-9-20(19)24/h2-13H,14,25H2,1H3,(H,26,28)
InChIKeyGZFWOHWVNRDPLX-UHFFFAOYSA-N
XLogP4.92
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-[(2-fluorobenzoyl)amino]indole-2-carboxamide
CID 83282725
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N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
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N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide
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N-[3-(aminomethyl)-4-fluorophenyl]-2-hydroxy-3-methylbenzamide
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CID 17395084
N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide
CID 154278124
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 104780566
N-(1-ethyl-2-phenylindol-5-yl)-2-methoxybenzamide
CID 24760244
5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
CID 83282724

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide (CID 143608564) is N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc2c(c1)cc(-c1ccccc1F)n2CN.
What is the InChIKey of N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide?
The InChIKey is GZFWOHWVNRDPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-15-6-2-3-7-18(15)23(28)26-17-10-11-21-16(12-17)13-22(27(21)14-25)19-8-4-5-9-20(19)24/h2-13H,14,25H2,1H3,(H,26,28).
What are the key properties of N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide?
N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide has a molecular weight of 373.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-(2-fluorophenyl)indol-5-yl]-2-methylbenzamide is sourced from PubChem (CID 143608564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).