N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C29H29F3N4O2 — CID 44534067

IUPACN-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc1)CC2
InChIInChI=1S/C29H29F3N4O2/c1-19-15-22-11-14-36(26(22)16-25(19)29(30,31)32)28(38)34-23-9-7-21(8-10-23)27(37)33-24-12-13-35(18-24)17-20-5-3-2-4-6-20/h2-10,15-16,24H,11-14,17-18H2,1H3,(H,33,37)(H,34,38)
InChIKeyUGZCENGMQDZDFY-UHFFFAOYSA-N
MW522.57 g/mol
LogP5.61
Rot. Bonds5

About N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 44534067) has the molecular formula C29H29F3N4O2 and a molecular weight of 522.57 g/mol. Its IUPAC name is N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID44534067
Molecular FormulaC29H29F3N4O2
Molecular Weight522.57 g/mol
Exact Mass522.22
IUPAC NameN-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc1)CC2
InChIInChI=1S/C29H29F3N4O2/c1-19-15-22-11-14-36(26(22)16-25(19)29(30,31)32)28(38)34-23-9-7-21(8-10-23)27(37)33-24-12-13-35(18-24)17-20-5-3-2-4-6-20/h2-10,15-16,24H,11-14,17-18H2,1H3,(H,33,37)(H,34,38)
InChIKeyUGZCENGMQDZDFY-UHFFFAOYSA-N
XLogP5.61
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 44534067) is N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1ccc(C(=O)NC3CCN(Cc4ccccc4)C3)cc1)CC2.
What is the InChIKey of N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is UGZCENGMQDZDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4O2/c1-19-15-22-11-14-36(26(22)16-25(19)29(30,31)32)28(38)34-23-9-7-21(8-10-23)27(37)33-24-12-13-35(18-24)17-20-5-3-2-4-6-20/h2-10,15-16,24H,11-14,17-18H2,1H3,(H,33,37)(H,34,38).
What are the key properties of N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 522.57 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzylpyrrolidin-3-yl)carbamoyl]phenyl]-5-methyl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 44534067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).