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

C20H25FN2O — CID 144936015

IUPACN-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
SMILESCC.CC.O=C(NCc1ccccc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H13FN2O.2C2H6/c17-13-6-7-14-12(8-13)9-15(19-14)16(20)18-10-11-4-2-1-3-5-11;2*1-2/h1-9,19H,10H2,(H,18,20);2*1-2H3
InChIKeyMGRAYDDARCYHBX-UHFFFAOYSA-N
MW328.43 g/mol
LogP5.29
Rot. Bonds3

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

N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane (PubChem CID 144936015) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane.

Molecular Properties

Compound NameN-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
PubChem CID144936015
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
SMILESCC.CC.O=C(NCc1ccccc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H13FN2O.2C2H6/c17-13-6-7-14-12(8-13)9-15(19-14)16(20)18-10-11-4-2-1-3-5-11;2*1-2/h1-9,19H,10H2,(H,18,20);2*1-2H3
InChIKeyMGRAYDDARCYHBX-UHFFFAOYSA-N
XLogP5.29
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.43
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide
CID 46415642
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 83289806
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014440
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
bis(N-benzyl-1H-indole-2-carboxamide);ethane;ethanol;1H-indole-2-carboxylic acid;methanol;phenylmethanamine
CID 159149105
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
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-[(3-hydroxy-4-propoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 21014406

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane?
The IUPAC name of N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane (CID 144936015) is N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane.
What is the SMILES notation for N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane?
The canonical SMILES for N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane is CC.CC.O=C(NCc1ccccc1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane?
The InChIKey is MGRAYDDARCYHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O.2C2H6/c17-13-6-7-14-12(8-13)9-15(19-14)16(20)18-10-11-4-2-1-3-5-11;2*1-2/h1-9,19H,10H2,(H,18,20);2*1-2H3.
What are the key properties of N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane?
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane has a molecular weight of 328.43 g/mol, XLogP of 5.29, 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;ethane is sourced from PubChem (CID 144936015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).