2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide

C17H18FN3O3 — CID 97215145

IUPAC2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C17H18FN3O3/c1-11(9-13-3-2-8-24-13)20-16(22)14-10-12(4-5-15(14)18)21-7-6-19-17(21)23/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,23)(H,20,22)/t11-/m0/s1
InChIKeyPAPIKTXKTDOCGD-NSHDSACASA-N
MW331.35 g/mol
LogP2.31
Rot. Bonds5

About 2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide

2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 97215145) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID97215145
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1cc(N2CCNC2=O)ccc1F
InChIInChI=1S/C17H18FN3O3/c1-11(9-13-3-2-8-24-13)20-16(22)14-10-12(4-5-15(14)18)21-7-6-19-17(21)23/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,23)(H,20,22)/t11-/m0/s1
InChIKeyPAPIKTXKTDOCGD-NSHDSACASA-N
XLogP2.31
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide with MolForge

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Related Compounds

5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
(E)-2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]hex-4-enoic acid
CID 120694260
2-fluoro-N-[3-(methylamino)propyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119433675
5-chloro-N-[1-(furan-2-yl)propan-2-yl]-2-hydroxybenzamide
CID 47168819
N-(1-amino-2,4-dimethylpentan-2-yl)-2-fluoro-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119599973
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 94022833
2-[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-methylamino]propanoic acid
CID 119209151
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119464028
(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119244300
5-chloro-2-(ethylamino)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 62179264
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537575
4-[[[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542844

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of 2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide (CID 97215145) is 2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for 2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide is C[C@@H](Cc1ccco1)NC(=O)c1cc(N2CCNC2=O)ccc1F.
What is the InChIKey of 2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is PAPIKTXKTDOCGD-NSHDSACASA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11(9-13-3-2-8-24-13)20-16(22)14-10-12(4-5-15(14)18)21-7-6-19-17(21)23/h2-5,8,10-11H,6-7,9H2,1H3,(H,19,23)(H,20,22)/t11-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide?
2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 331.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-1-(furan-2-yl)propan-2-yl]-5-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 97215145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).