N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide

C15H11N3O4 — CID 3644095

IUPACN-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=NO
InChIInChI=1S/C15H11N3O4/c1-8(19)16-13-6-12-11(7-14(13)18(21)22)9-4-2-3-5-10(9)15(12)17-20/h2-7,20H,1H3,(H,16,19)
InChIKeyLPHDYKCTQHQVKE-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.76
Rot. Bonds2

About N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide

N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide (PubChem CID 3644095) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide.

Molecular Properties

Compound NameN-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide
PubChem CID3644095
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC NameN-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=NO
InChIInChI=1S/C15H11N3O4/c1-8(19)16-13-6-12-11(7-14(13)18(21)22)9-4-2-3-5-10(9)15(12)17-20/h2-7,20H,1H3,(H,16,19)
InChIKeyLPHDYKCTQHQVKE-UHFFFAOYSA-N
XLogP2.76
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-nitro-9-oxofluoren-2-yl)acetamide
CID 3623732
(NE)-N-(2-nitrofluoren-9-ylidene)hydroxylamine
CID 5354534
N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide
CID 5215796
4-acetamido-3-nitro-N,N-diphenylbenzamide
CID 596922
N-[5-[3-(3-acetamido-4-nitrophenoxy)phenoxy]-2-nitrophenyl]acetamide
CID 142761150
(NE)-N-(2,3-diaminofluoren-9-ylidene)hydroxylamine
CID 5381807
N-[(1R,8R)-10,18-diacetamido-5,11,17-trinitro-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15,17,19-nonaenyl]acetamide
CID 23661307
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
N-(2-bromo-3-nitrophenyl)acetamide
CID 68518148
N-(2-ethyl-6-nitro-1,3-dihydroisoindol-5-yl)acetamide
CID 25139889
N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide
CID 119091094
N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide
CID 139715511

Frequently Asked Questions

What is the IUPAC name of N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide?
The IUPAC name of N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide (CID 3644095) is N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide.
What is the SMILES notation for N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide?
The canonical SMILES for N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide is CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=NO.
What is the InChIKey of N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide?
The InChIKey is LPHDYKCTQHQVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c1-8(19)16-13-6-12-11(7-14(13)18(21)22)9-4-2-3-5-10(9)15(12)17-20/h2-7,20H,1H3,(H,16,19).
What are the key properties of N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide?
N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide has a molecular weight of 297.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-hydroxyimino-3-nitrofluoren-2-yl)acetamide is sourced from PubChem (CID 3644095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).