N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide

C14H17FN2O4 — CID 102866417

IUPACN-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1F)N(CCCO)C1CCC1
InChIInChI=1S/C14H17FN2O4/c15-13-9-11(17(20)21)5-6-12(13)14(19)16(7-2-8-18)10-3-1-4-10/h5-6,9-10,18H,1-4,7-8H2
InChIKeyFBBRYWASZYVBKG-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.11
Rot. Bonds6

About N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide

N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide (PubChem CID 102866417) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide
PubChem CID102866417
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC NameN-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1F)N(CCCO)C1CCC1
InChIInChI=1S/C14H17FN2O4/c15-13-9-11(17(20)21)5-6-12(13)14(19)16(7-2-8-18)10-3-1-4-10/h5-6,9-10,18H,1-4,7-8H2
InChIKeyFBBRYWASZYVBKG-UHFFFAOYSA-N
XLogP2.11
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N-ethyl-2-fluoro-4-nitrobenzamide
CID 87024573
N-cyclobutyl-2-fluoro-4-hydroxy-N-(3-hydroxypropyl)benzamide
CID 102978235
3-(N-cyclobutyl-2-fluoro-4-nitroanilino)propan-1-ol
CID 102846778
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 102870405
N-cyclobutyl-3-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide
CID 102861502
N-cyclopentyl-2-fluoro-N-(furan-2-ylmethyl)-4-nitrobenzamide
CID 87024565
2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 102861545
N-(2-bromoethyl)-N-cyclopentyl-2-methyl-4-nitrobenzamide
CID 80656420
N-(azepan-4-yl)-2-fluoro-N-methyl-4-nitrobenzamide
CID 104974655
N-(3-chloropropyl)-N-cyclobutyl-4-fluoro-2-nitrobenzamide
CID 102871842
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587
2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide
CID 107318410

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide?
The IUPAC name of N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide (CID 102866417) is N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide.
What is the SMILES notation for N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide?
The canonical SMILES for N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide is O=C(c1ccc([N+](=O)[O-])cc1F)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide?
The InChIKey is FBBRYWASZYVBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c15-13-9-11(17(20)21)5-6-12(13)14(19)16(7-2-8-18)10-3-1-4-10/h5-6,9-10,18H,1-4,7-8H2.
What are the key properties of N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide?
N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide has a molecular weight of 296.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide is sourced from PubChem (CID 102866417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).