N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide

C10H8ClFN2O — CID 174435771

IUPACN-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide
SMILESO=C(CF)Nc1cccc2[nH]cc(Cl)c12
InChIInChI=1S/C10H8ClFN2O/c11-6-5-13-7-2-1-3-8(10(6)7)14-9(15)4-12/h1-3,5,13H,4H2,(H,14,15)
InChIKeyQPZLAEMFIXCRTI-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.73
Rot. Bonds2

About N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide

N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide (PubChem CID 174435771) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide
PubChem CID174435771
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC NameN-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide
SMILESO=C(CF)Nc1cccc2[nH]cc(Cl)c12
InChIInChI=1S/C10H8ClFN2O/c11-6-5-13-7-2-1-3-8(10(6)7)14-9(15)4-12/h1-3,5,13H,4H2,(H,14,15)
InChIKeyQPZLAEMFIXCRTI-UHFFFAOYSA-N
XLogP2.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 162647559
N-(2-fluorophenyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110858538
2-(4-chloro-1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 136544621
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
3-chloro-4-nitro-1H-indole
CID 12049863
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
2-[(4-chloro-1H-indol-3-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 162666981
N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112524517
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide
CID 145222330
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide?
The IUPAC name of N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide (CID 174435771) is N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide.
What is the SMILES notation for N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide?
The canonical SMILES for N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide is O=C(CF)Nc1cccc2[nH]cc(Cl)c12.
What is the InChIKey of N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide?
The InChIKey is QPZLAEMFIXCRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-6-5-13-7-2-1-3-8(10(6)7)14-9(15)4-12/h1-3,5,13H,4H2,(H,14,15).
What are the key properties of N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide?
N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide has a molecular weight of 226.64 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide is sourced from PubChem (CID 174435771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).