4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide

C25H26N2O2 — CID 92682378

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1
InChIInChI=1S/C25H26N2O2/c1-18(2)29-23-8-5-7-22(16-23)26-25(28)21-12-10-19(11-13-21)17-27-15-14-20-6-3-4-9-24(20)27/h3-13,16,18H,14-15,17H2,1-2H3,(H,26,28)
InChIKeyWIOYZTYHDBKKSJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.29
Rot. Bonds6

About 4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide

4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide (PubChem CID 92682378) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide
PubChem CID92682378
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1
InChIInChI=1S/C25H26N2O2/c1-18(2)29-23-8-5-7-22(16-23)26-25(28)21-12-10-19(11-13-21)17-27-15-14-20-6-3-4-9-24(20)27/h3-13,16,18H,14-15,17H2,1-2H3,(H,26,28)
InChIKeyWIOYZTYHDBKKSJ-UHFFFAOYSA-N
XLogP5.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
CID 38019865
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
N-(2,4-difluorophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 92674557
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 30388395
N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393222

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide (CID 92682378) is 4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide is CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide?
The InChIKey is WIOYZTYHDBKKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18(2)29-23-8-5-7-22(16-23)26-25(28)21-12-10-19(11-13-21)17-27-15-14-20-6-3-4-9-24(20)27/h3-13,16,18H,14-15,17H2,1-2H3,(H,26,28).
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide?
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 92682378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).