N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide

C18H16FN3O3 — CID 36800098

IUPACN-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C18H16FN3O3/c1-10(23)20-11-6-7-17(25-2)15(8-11)22-18(24)16-9-12-13(19)4-3-5-14(12)21-16/h3-9,21H,1-2H3,(H,20,23)(H,22,24)
InChIKeyRJLCATVQTUKPML-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.53
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide

N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide (PubChem CID 36800098) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
PubChem CID36800098
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C18H16FN3O3/c1-10(23)20-11-6-7-17(25-2)15(8-11)22-18(24)16-9-12-13(19)4-3-5-14(12)21-16/h3-9,21H,1-2H3,(H,20,23)(H,22,24)
InChIKeyRJLCATVQTUKPML-UHFFFAOYSA-N
XLogP3.53
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46445599
N-(3-acetamido-4-methoxyphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134050967
4-fluoro-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-1H-indole-2-carboxamide
CID 60552905
4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
CID 32639423
N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 51053181
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
N-(3-acetamido-4-methoxyphenyl)-5-chloro-1H-indole-2-carboxamide
CID 55556002
4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
CID 36817888
N-(5-acetamido-2-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 33379841
N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-4-methoxy-1H-indole-2-carboxamide
CID 154876346
N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
CID 110864886

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide (CID 36800098) is N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide?
The InChIKey is RJLCATVQTUKPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-10(23)20-11-6-7-17(25-2)15(8-11)22-18(24)16-9-12-13(19)4-3-5-14(12)21-16/h3-9,21H,1-2H3,(H,20,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 36800098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).