N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

C20H22F2N2O3 — CID 43018488

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(OC(F)F)cc2)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H22F2N2O3/c1-11-16-14(8-20(2,3)9-15(16)25)24-17(11)18(26)23-10-12-4-6-13(7-5-12)27-19(21)22/h4-7,19,24H,8-10H2,1-3H3,(H,23,26)
InChIKeySPBHRRBQHZGSDD-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.01
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (PubChem CID 43018488) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
PubChem CID43018488
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NCc2ccc(OC(F)F)cc2)[nH]c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H22F2N2O3/c1-11-16-14(8-20(2,3)9-15(16)25)24-17(11)18(26)23-10-12-4-6-13(7-5-12)27-19(21)22/h4-7,19,24H,8-10H2,1-3H3,(H,23,26)
InChIKeySPBHRRBQHZGSDD-UHFFFAOYSA-N
XLogP4.01
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 30094164
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
CID 2517706
N-[1-[(3-chlorophenyl)methylamino]-1-oxohexan-2-yl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170259946
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
methyl N-[4-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]phenyl]carbamate
CID 60517720
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
3,6,6-trimethyl-N-[1-(4-methylanilino)-1-oxohexan-2-yl]-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 170260610
3-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 107518753
N-[[3-(methoxymethyl)phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47037011

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide (CID 43018488) is N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is Cc1c(C(=O)NCc2ccc(OC(F)F)cc2)[nH]c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
The InChIKey is SPBHRRBQHZGSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-11-16-14(8-20(2,3)9-15(16)25)24-17(11)18(26)23-10-12-4-6-13(7-5-12)27-19(21)22/h4-7,19,24H,8-10H2,1-3H3,(H,23,26).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 43018488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).