N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide

C17H24FN3O3 — CID 95762744

IUPACN-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
SMILESCCN(C[C@H]1CCCO1)C(=O)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C17H24FN3O3/c1-2-21(12-13-6-5-11-24-13)17(23)20-10-9-19-16(22)14-7-3-4-8-15(14)18/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyQKQDDMRRNSIBSJ-CYBMUJFWSA-N
MW337.39 g/mol
LogP1.77
Rot. Bonds7

About N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide

N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide (PubChem CID 95762744) has the molecular formula C17H24FN3O3 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
PubChem CID95762744
Molecular FormulaC17H24FN3O3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC NameN-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
SMILESCCN(C[C@H]1CCCO1)C(=O)NCCNC(=O)c1ccccc1F
InChIInChI=1S/C17H24FN3O3/c1-2-21(12-13-6-5-11-24-13)17(23)20-10-9-19-16(22)14-7-3-4-8-15(14)18/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyQKQDDMRRNSIBSJ-CYBMUJFWSA-N
XLogP1.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 62660158
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea
CID 95258347
3-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95598545
3-[2-(2-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 87000019
N-[3-[ethyl(oxan-4-ylmethyl)amino]-3-oxopropyl]-2-fluorobenzamide
CID 50975562
N-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 19118894
3-[ethyl(oxolan-2-ylmethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 115996544
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 95762745
1-ethyl-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95968273

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide (CID 95762744) is N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide is CCN(C[C@H]1CCCO1)C(=O)NCCNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide?
The InChIKey is QKQDDMRRNSIBSJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-2-21(12-13-6-5-11-24-13)17(23)20-10-9-19-16(22)14-7-3-4-8-15(14)18/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide?
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide has a molecular weight of 337.39 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 95762744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).