N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide

C16H18FNO4 — CID 111697870

IUPACN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)COCC1CC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H18FNO4/c17-12-3-4-14-11(5-12)6-15(22-14)16(20)18-7-13(19)9-21-8-10-1-2-10/h3-6,10,13,19H,1-2,7-9H2,(H,18,20)
InChIKeyHGDPDFNWCGMQDF-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.09
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide (PubChem CID 111697870) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide
PubChem CID111697870
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)COCC1CC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C16H18FNO4/c17-12-3-4-14-11(5-12)6-15(22-14)16(20)18-7-13(19)9-21-8-10-1-2-10/h3-6,10,13,19H,1-2,7-9H2,(H,18,20)
InChIKeyHGDPDFNWCGMQDF-UHFFFAOYSA-N
XLogP2.09
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide 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

5-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 111425569
5-fluoro-N-(4-hydroxy-2-methylpentyl)-1-benzofuran-2-carboxamide
CID 111447978
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 111662870
cis-(1R,2S)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96570636
3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
CID 111662976
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
trans-(1S,2S)-N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 97077272
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 111697850
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 115808809

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide (CID 111697870) is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide is O=C(NCC(O)COCC1CC1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide?
The InChIKey is HGDPDFNWCGMQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4/c17-12-3-4-14-11(5-12)6-15(22-14)16(20)18-7-13(19)9-21-8-10-1-2-10/h3-6,10,13,19H,1-2,7-9H2,(H,18,20).
What are the key properties of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide?
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide has a molecular weight of 307.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-5-fluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111697870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).