N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride

C16H14ClFN2O — CID 44666094

IUPACN-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H13FN2O.ClH/c17-13-6-7-14-12(8-13)9-15(19-14)16(20)18-10-11-4-2-1-3-5-11;/h1-9,19H,10H2,(H,18,20);1H
InChIKeyJQDTUPUNNNHKGK-UHFFFAOYSA-N
MW304.75 g/mol
LogP3.66
Rot. Bonds3

About N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride

N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 44666094) has the molecular formula C16H14ClFN2O and a molecular weight of 304.75 g/mol. Its IUPAC name is N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
PubChem CID44666094
Molecular FormulaC16H14ClFN2O
Molecular Weight304.75 g/mol
Exact Mass304.08
IUPAC NameN-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H13FN2O.ClH/c17-13-6-7-14-12(8-13)9-15(19-14)16(20)18-10-11-4-2-1-3-5-11;/h1-9,19H,10H2,(H,18,20);1H
InChIKeyJQDTUPUNNNHKGK-UHFFFAOYSA-N
XLogP3.66
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 83289806
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide
CID 46415642
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014440
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
5-fluoro-N-(3-phenylsulfanylpropyl)-1H-indole-2-carboxamide
CID 38572594
N-benzyl-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
CID 83289883
5-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide
CID 118425440
5-fluoro-N-[2-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014388
N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921177

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride (CID 44666094) is N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is JQDTUPUNNNHKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O.ClH/c17-13-6-7-14-12(8-13)9-15(19-14)16(20)18-10-11-4-2-1-3-5-11;/h1-9,19H,10H2,(H,18,20);1H.
What are the key properties of N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride?
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 304.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 44666094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).