N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide

C18H24FN3O3 — CID 124571830

IUPACN-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
SMILESO=C(NCCNC(=O)c1ccccc1F)N[C@H]1CCO[C@@H](C2CC2)C1
InChIInChI=1S/C18H24FN3O3/c19-15-4-2-1-3-14(15)17(23)20-8-9-21-18(24)22-13-7-10-25-16(11-13)12-5-6-12/h1-4,12-13,16H,5-11H2,(H,20,23)(H2,21,22,24)/t13-,16+/m0/s1
InChIKeyPATRYTFEEBCRNK-XJKSGUPXSA-N
MW349.41 g/mol
LogP1.81
Rot. Bonds6

About N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide

N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide (PubChem CID 124571830) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
PubChem CID124571830
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC NameN-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide
SMILESO=C(NCCNC(=O)c1ccccc1F)N[C@H]1CCO[C@@H](C2CC2)C1
InChIInChI=1S/C18H24FN3O3/c19-15-4-2-1-3-14(15)17(23)20-8-9-21-18(24)22-13-7-10-25-16(11-13)12-5-6-12/h1-4,12-13,16H,5-11H2,(H,20,23)(H2,21,22,24)/t13-,16+/m0/s1
InChIKeyPATRYTFEEBCRNK-XJKSGUPXSA-N
XLogP1.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclopropyloxan-4-yl)-3-(naphthalen-2-ylmethyl)urea
CID 86793796
1-(2-cyclopropyloxan-4-yl)-3-[2-(2,4-difluorophenyl)propyl]urea
CID 86793358
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]urea
CID 124888151
N-[2-(1,3-dioxan-2-yl)ethyl]-2-fluorobenzamide
CID 110370059
1-(2-cyclopropyloxan-4-yl)-3-[2-(3-methylphenyl)propyl]urea
CID 91660622
N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 97308523
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
N-[3-[[(1R,5R,6R,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-3-oxopropyl]-2-fluorobenzamide
CID 133267354
1-[(2S,4R)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616040
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 99616041
1-[(2S,4S)-2-cyclopropyloxan-4-yl]-3-(2-methyl-3-methylsulfanylphenyl)urea
CID 125137959
2-fluoro-N-[3-[[2-(trifluoromethyl)cyclohexyl]carbamoylamino]propyl]benzamide
CID 71885532

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide (CID 124571830) is N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide is O=C(NCCNC(=O)c1ccccc1F)N[C@H]1CCO[C@@H](C2CC2)C1.
What is the InChIKey of N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide?
The InChIKey is PATRYTFEEBCRNK-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-15-4-2-1-3-14(15)17(23)20-8-9-21-18(24)22-13-7-10-25-16(11-13)12-5-6-12/h1-4,12-13,16H,5-11H2,(H,20,23)(H2,21,22,24)/t13-,16+/m0/s1.
What are the key properties of N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide?
N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide has a molecular weight of 349.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R,4S)-2-cyclopropyloxan-4-yl]carbamoylamino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 124571830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).