N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide

C26H24N2O3 — CID 100788776

IUPACN-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc32)cc1
InChIInChI=1S/C26H24N2O3/c1-31-22-11-8-19(9-12-22)24(29)28-16-13-18-7-10-21(17-23(18)28)27-25(30)26(14-15-26)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3,(H,27,30)
InChIKeyXPLQDKKGDCONIY-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.57
Rot. Bonds5

About N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide

N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 100788776) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID100788776
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc32)cc1
InChIInChI=1S/C26H24N2O3/c1-31-22-11-8-19(9-12-22)24(29)28-16-13-18-7-10-21(17-23(18)28)27-25(30)26(14-15-26)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3,(H,27,30)
InChIKeyXPLQDKKGDCONIY-UHFFFAOYSA-N
XLogP4.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
1-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-(3-methoxyphenyl)urea
CID 30372497
1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide
CID 100798688
1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384342
4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide
CID 100785320
1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 53160326
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100794010
N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100797695
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide (CID 100788776) is N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide is COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc32)cc1.
What is the InChIKey of N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is XPLQDKKGDCONIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-31-22-11-8-19(9-12-22)24(29)28-16-13-18-7-10-21(17-23(18)28)27-25(30)26(14-15-26)20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3,(H,27,30).
What are the key properties of N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide?
N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 100788776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).