7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide

C17H18FN3O2 — CID 24794222

IUPAC7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CCc2cnn(C)c2)oc2c(F)cccc12
InChIInChI=1S/C17H18FN3O2/c1-11-13-5-4-6-14(18)16(13)23-15(11)17(22)20(2)8-7-12-9-19-21(3)10-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyAGQMWUYQKZMTLN-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.93
Rot. Bonds4

About 7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide

7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 24794222) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID24794222
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CCc2cnn(C)c2)oc2c(F)cccc12
InChIInChI=1S/C17H18FN3O2/c1-11-13-5-4-6-14(18)16(13)23-15(11)17(22)20(2)8-7-12-9-19-21(3)10-12/h4-6,9-10H,7-8H2,1-3H3
InChIKeyAGQMWUYQKZMTLN-UHFFFAOYSA-N
XLogP2.93
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-Fluoro-2-hydroxy-benzoyl)pyrazol-1-yl]-(2-furyl)methanone
CID 7998008
5-(4-Chloro-pyrazol-1-ylmethyl)-furan-2-carboxylic acid 4-methoxy-benzylamide
CID 892212
(3-methyl-1-benzofuran-2-yl)(4-methyl-1H-pyrazol-1-yl)methanone
CID 1246317
N'-(2-methylbenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5410818
N'-(4-isopropylbenzylidene)-5-(1H-pyrazol-1-ylmethyl)-2-furohydrazide
CID 5412129
3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
CID 24793128
7-chloro-N,3,5-trimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 24792956
7-fluoro-3-methyl-N-(4-pyridinylmethyl)-N-(tetrahydro-2-furanylmethyl)-1-benzofuran-2-carboxamide
CID 24816960
[5-(2,4-Difluorophenyl)furan-2-yl]-pyrazol-1-ylmethanone
CID 56834430
[5-(4-Methoxyphenyl)furan-2-yl]-pyrazol-1-ylmethanone
CID 56834530
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(4-methoxybenzyl)-2-furamide
CID 1314845
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylfuran-2-carboxamide
CID 31852227

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide (CID 24794222) is 7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)CCc2cnn(C)c2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is AGQMWUYQKZMTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-11-13-5-4-6-14(18)16(13)23-15(11)17(22)20(2)8-7-12-9-19-21(3)10-12/h4-6,9-10H,7-8H2,1-3H3.
What are the key properties of 7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide?
7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,3-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24794222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).