N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

C23H23FN2O — CID 20908798

IUPACN-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NCc3ccc(F)cc3)cc1)CCCC2
InChIInChI=1S/C23H23FN2O/c1-16-14-19-4-2-3-5-22(19)26(16)21-12-8-18(9-13-21)23(27)25-15-17-6-10-20(24)11-7-17/h6-14H,2-5,15H2,1H3,(H,25,27)
InChIKeySXKYTFFGQVPLEE-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.73
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (PubChem CID 20908798) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
PubChem CID20908798
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCc1cc2c(n1-c1ccc(C(=O)NCc3ccc(F)cc3)cc1)CCCC2
InChIInChI=1S/C23H23FN2O/c1-16-14-19-4-2-3-5-22(19)26(16)21-12-8-18(9-13-21)23(27)25-15-17-6-10-20(24)11-7-17/h6-14H,2-5,15H2,1H3,(H,25,27)
InChIKeySXKYTFFGQVPLEE-UHFFFAOYSA-N
XLogP4.73
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 22522080
N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20886155
N-[3-[butyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20887651
4-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl]-N-propylbenzamide
CID 46377313
N-[3-[cyclohexyl(methyl)amino]propyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908824
4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 20908874
N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9270477
N-(2,3-dimethylcyclohexyl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908802
1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30839353
N-(1-benzylpiperidin-4-yl)-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908801
4-(2,5-dimethyl-4,5,6,7-tetrahydroindol-1-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 20908838
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (CID 20908798) is N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is Cc1cc2c(n1-c1ccc(C(=O)NCc3ccc(F)cc3)cc1)CCCC2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The InChIKey is SXKYTFFGQVPLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c1-16-14-19-4-2-3-5-22(19)26(16)21-12-8-18(9-13-21)23(27)25-15-17-6-10-20(24)11-7-17/h6-14H,2-5,15H2,1H3,(H,25,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is sourced from PubChem (CID 20908798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).