[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate

C28H27FN2O5 — CID 174590993

IUPAC[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3c[nH]c4cccc(F)c34)cc2)cc1OC
InChIInChI=1S/C28H27FN2O5/c1-28(2,16-36-27(33)20-15-30-22-7-5-6-21(29)25(20)22)18-9-11-19(12-10-18)31-26(32)17-8-13-23(34-3)24(14-17)35-4/h5-15,30H,16H2,1-4H3,(H,31,32)
InChIKeyGMJPIAJAYDXDGS-UHFFFAOYSA-N
MW490.53 g/mol
LogP5.71
Rot. Bonds8

About [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate

[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate (PubChem CID 174590993) has the molecular formula C28H27FN2O5 and a molecular weight of 490.53 g/mol. Its IUPAC name is [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate
PubChem CID174590993
Molecular FormulaC28H27FN2O5
Molecular Weight490.53 g/mol
Exact Mass490.19
IUPAC Name[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate
SMILESCOc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3c[nH]c4cccc(F)c34)cc2)cc1OC
InChIInChI=1S/C28H27FN2O5/c1-28(2,16-36-27(33)20-15-30-22-7-5-6-21(29)25(20)22)18-9-11-19(12-10-18)31-26(32)17-8-13-23(34-3)24(14-17)35-4/h5-15,30H,16H2,1-4H3,(H,31,32)
InChIKeyGMJPIAJAYDXDGS-UHFFFAOYSA-N
XLogP5.71
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] pyrimidine-2-carboxylate
CID 175265795
3,4-dimethoxy-N-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]benzamide
CID 67546361
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1-propan-2-ylindole-3-carboxylate
CID 174590894
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
CID 90873510
[2-[3-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 1H-indazole-3-carboxylate
CID 174590959
N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112990211
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]-3,4-dimethoxybenzamide;thiophene-3-carboxylic acid
CID 69047947
3,4-dimethoxy-N-[4-[2-methyl-1-(2-phenoxypropanoylamino)propan-2-yl]phenyl]benzamide
CID 67545094
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate?
The IUPAC name of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate (CID 174590993) is [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate.
What is the SMILES notation for [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate?
The canonical SMILES for [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate is COc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3c[nH]c4cccc(F)c34)cc2)cc1OC.
What is the InChIKey of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate?
The InChIKey is GMJPIAJAYDXDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O5/c1-28(2,16-36-27(33)20-15-30-22-7-5-6-21(29)25(20)22)18-9-11-19(12-10-18)31-26(32)17-8-13-23(34-3)24(14-17)35-4/h5-15,30H,16H2,1-4H3,(H,31,32).
What are the key properties of [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate?
[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate has a molecular weight of 490.53 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl] 4-fluoro-1H-indole-3-carboxylate is sourced from PubChem (CID 174590993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).