5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide

C25H17Cl2FN4O3 — CID 59451512

IUPAC5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide
SMILESCC(=O)Nc1ccc2[nH]c(C(=O)NCc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3F)cc2c1
InChIInChI=1S/C25H17Cl2FN4O3/c1-13(33)31-18-3-5-21-16(8-18)9-22(32-21)25(34)30-12-15-2-4-20(27)24(23(15)28)35-19-7-14(11-29)6-17(26)10-19/h2-10,32H,12H2,1H3,(H,30,34)(H,31,33)
InChIKeyOULLOCLQFKPIIP-UHFFFAOYSA-N
MW511.34 g/mol
LogP6.17
Rot. Bonds6

About 5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide

5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 59451512) has the molecular formula C25H17Cl2FN4O3 and a molecular weight of 511.34 g/mol. Its IUPAC name is 5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide
PubChem CID59451512
Molecular FormulaC25H17Cl2FN4O3
Molecular Weight511.34 g/mol
Exact Mass510.07
IUPAC Name5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide
SMILESCC(=O)Nc1ccc2[nH]c(C(=O)NCc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3F)cc2c1
InChIInChI=1S/C25H17Cl2FN4O3/c1-13(33)31-18-3-5-21-16(8-18)9-22(32-21)25(34)30-12-15-2-4-20(27)24(23(15)28)35-19-7-14(11-29)6-17(26)10-19/h2-10,32H,12H2,1H3,(H,30,34)(H,31,33)
InChIKeyOULLOCLQFKPIIP-UHFFFAOYSA-N
XLogP6.17
TPSA107.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.34
LogP ≤ 56.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide
CID 59451507
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-6-[3-[(2-methylpropan-2-yl)oxy]propanoylamino]-1H-indole-2-carboxamide
CID 59451573
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-6-nitro-1H-indole-2-carboxamide
CID 59451617
2-acetamido-5-chloro-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68721880
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indole-2-carboxamide
CID 59451559
3-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-5-methoxy-1H-indole-2-carboxamide
CID 59451465
tert-butyl N-[2-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methylcarbamoyl]-1H-indol-5-yl]carbamate
CID 89041819
N-[[3-(3-amino-5-chlorophenoxy)-4-chloro-2-fluorophenyl]methyl]-5-(3-aminopropanoylamino)-1H-indole-2-carboxamide
CID 89218490
acetic acid;N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-2-methyl-1H-imidazole-5-carboxamide
CID 162337427
2-acetyl-5-bromo-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide
CID 68794729
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-5-carboxamide
CID 59451608
N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-benzimidazole-2-carboxamide
CID 59451461

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide (CID 59451512) is 5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide is CC(=O)Nc1ccc2[nH]c(C(=O)NCc3ccc(Cl)c(Oc4cc(Cl)cc(C#N)c4)c3F)cc2c1.
What is the InChIKey of 5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is OULLOCLQFKPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17Cl2FN4O3/c1-13(33)31-18-3-5-21-16(8-18)9-22(32-21)25(34)30-12-15-2-4-20(27)24(23(15)28)35-19-7-14(11-29)6-17(26)10-19/h2-10,32H,12H2,1H3,(H,30,34)(H,31,33).
What are the key properties of 5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide?
5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 511.34 g/mol, XLogP of 6.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 59451512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).