N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide

C16H13FN2O2 — CID 114840582

IUPACN-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3[nH]ccc3c2)ccc1F
InChIInChI=1S/C16H13FN2O2/c1-21-15-9-12(3-4-13(15)17)19-16(20)11-2-5-14-10(8-11)6-7-18-14/h2-9,18H,1H3,(H,19,20)
InChIKeyWHKMFUFBSDJAAA-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.57
Rot. Bonds3

About N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide

N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide (PubChem CID 114840582) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide
PubChem CID114840582
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3[nH]ccc3c2)ccc1F
InChIInChI=1S/C16H13FN2O2/c1-21-15-9-12(3-4-13(15)17)19-16(20)11-2-5-14-10(8-11)6-7-18-14/h2-9,18H,1H3,(H,19,20)
InChIKeyWHKMFUFBSDJAAA-UHFFFAOYSA-N
XLogP3.57
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
N-(3-fluoro-4-methoxyphenyl)-1H-indole-6-carboxamide
CID 60971449
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
N-(1H-indol-5-yl)-3-methoxybenzamide
CID 110730731
N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide
CID 67113599
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
CID 51087336
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139
N-(3,4-dimethoxyphenyl)-4-fluoro-3-methylbenzamide
CID 63212434
3,5-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571909

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide (CID 114840582) is N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide is COc1cc(NC(=O)c2ccc3[nH]ccc3c2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide?
The InChIKey is WHKMFUFBSDJAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-15-9-12(3-4-13(15)17)19-16(20)11-2-5-14-10(8-11)6-7-18-14/h2-9,18H,1H3,(H,19,20).
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide?
N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-1H-indole-5-carboxamide is sourced from PubChem (CID 114840582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).