N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide

C18H18FN3O3 — CID 49408271

IUPACN-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H18FN3O3/c1-11(22-18(24)13-5-7-25-10-13)17(23)20-6-4-12-9-21-16-8-14(19)2-3-15(12)16/h2-3,5,7-11,21H,4,6H2,1H3,(H,20,23)(H,22,24)
InChIKeyMUOLIASXQPNSQT-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.38
Rot. Bonds6

About N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 49408271) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID49408271
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC NameN-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H18FN3O3/c1-11(22-18(24)13-5-7-25-10-13)17(23)20-6-4-12-9-21-16-8-14(19)2-3-15(12)16/h2-3,5,7-11,21H,4,6H2,1H3,(H,20,23)(H,22,24)
InChIKeyMUOLIASXQPNSQT-UHFFFAOYSA-N
XLogP2.38
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
N-[2-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111887695
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-4-methylpentanamide
CID 119706151
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
CID 49408660
propan-2-yl 3-[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111888313
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
N-butan-2-yl-3-[[[N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111888182
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide
CID 113083740

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 49408271) is N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)NCCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is MUOLIASXQPNSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11(22-18(24)13-5-7-25-10-13)17(23)20-6-4-12-9-21-16-8-14(19)2-3-15(12)16/h2-3,5,7-11,21H,4,6H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 49408271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).