N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide

C17H14ClFN2O3 — CID 7679189

IUPACN-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccc(F)c(Cl)c3)[nH]c2cc1OC
InChIInChI=1S/C17H14ClFN2O3/c1-23-15-6-9-5-14(21-13(9)8-16(15)24-2)17(22)20-10-3-4-12(19)11(18)7-10/h3-8,21H,1-2H3,(H,20,22)
InChIKeyQUKIYNVSDACWCY-UHFFFAOYSA-N
MW348.76 g/mol
LogP4.23
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide (PubChem CID 7679189) has the molecular formula C17H14ClFN2O3 and a molecular weight of 348.76 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide
PubChem CID7679189
Molecular FormulaC17H14ClFN2O3
Molecular Weight348.76 g/mol
Exact Mass348.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)Nc3ccc(F)c(Cl)c3)[nH]c2cc1OC
InChIInChI=1S/C17H14ClFN2O3/c1-23-15-6-9-5-14(21-13(9)8-16(15)24-2)17(22)20-10-3-4-12(19)11(18)7-10/h3-8,21H,1-2H3,(H,20,22)
InChIKeyQUKIYNVSDACWCY-UHFFFAOYSA-N
XLogP4.23
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.76
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-fluoro-1H-indole-2-carboxamide
CID 113207472
N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
CID 55556002
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide
CID 108791613
N-[(2-chlorophenyl)methylideneamino]-5,6-dimethoxy-1H-indole-2-carboxamide
CID 2018531
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
5-chloro-N-[4-methoxy-3-[(2-methylbenzoyl)amino]phenyl]-1H-indole-2-carboxamide
CID 46323222
N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521484
5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-1H-indole-2-carboxamide
CID 113207257
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3,4-dimethoxybenzamide
CID 1242386

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide (CID 7679189) is N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide is COc1cc2cc(C(=O)Nc3ccc(F)c(Cl)c3)[nH]c2cc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide?
The InChIKey is QUKIYNVSDACWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O3/c1-23-15-6-9-5-14(21-13(9)8-16(15)24-2)17(22)20-10-3-4-12(19)11(18)7-10/h3-8,21H,1-2H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide has a molecular weight of 348.76 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 7679189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).