N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide

C16H10FN3O — CID 110864757

IUPACN-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1
InChIInChI=1S/C16H10FN3O/c17-13-5-2-6-14-12(13)8-15(20-14)16(21)19-11-4-1-3-10(7-11)9-18/h1-8,20H,(H,19,21)
InChIKeyCORUVNDKJXBSHH-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.43
Rot. Bonds2

About N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide

N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide (PubChem CID 110864757) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
PubChem CID110864757
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC NameN-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1
InChIInChI=1S/C16H10FN3O/c17-13-5-2-6-14-12(13)8-15(20-14)16(21)19-11-4-1-3-10(7-11)9-18/h1-8,20H,(H,19,21)
InChIKeyCORUVNDKJXBSHH-UHFFFAOYSA-N
XLogP3.43
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
CID 32639423
N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 31401736
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
4-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
CID 47421832
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
CID 110864886
4-amino-N-(3-cyanophenyl)-3-fluorobenzamide
CID 62678530
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
2-N-(3-cyanophenyl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101113
4-fluoro-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-1H-indole-2-carboxamide
CID 60552905

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide (CID 110864757) is N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide is N#Cc1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide?
The InChIKey is CORUVNDKJXBSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-13-5-2-6-14-12(13)8-15(20-14)16(21)19-11-4-1-3-10(7-11)9-18/h1-8,20H,(H,19,21).
What are the key properties of N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide?
N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 279.27 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 110864757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).