N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide

C14H14N2O5 — CID 111482013

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
SMILESCC(O)(CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C14H14N2O5/c1-14(18,12-3-2-8-21-12)9-15-13(17)10-4-6-11(7-5-10)16(19)20/h2-8,18H,9H2,1H3,(H,15,17)
InChIKeyBFDIAUVCHHREMA-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide (PubChem CID 111482013) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
PubChem CID111482013
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
SMILESCC(O)(CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1
InChIInChI=1S/C14H14N2O5/c1-14(18,12-3-2-8-21-12)9-15-13(17)10-4-6-11(7-5-10)16(19)20/h2-8,18H,9H2,1H3,(H,15,17)
InChIKeyBFDIAUVCHHREMA-UHFFFAOYSA-N
XLogP1.83
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
2-(dimethylamino)-N-[2-(furan-2-yl)-2-hydroxypropyl]-5-nitrobenzamide
CID 111520203
N-[2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propyl]-4-nitrobenzamide
CID 4047461
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
2,2-dimethyl-3-[(4-nitrobenzoyl)amino]propanoic acid
CID 81370083
N-(2-ethyl-2-hydroxybutyl)-4-nitrobenzamide
CID 65112701
N-(3-chloro-2,2-dimethylpropyl)-4-nitrobenzamide
CID 113294902
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
CID 111481964
4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482555

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide (CID 111482013) is N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide is CC(O)(CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide?
The InChIKey is BFDIAUVCHHREMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-14(18,12-3-2-8-21-12)9-15-13(17)10-4-6-11(7-5-10)16(19)20/h2-8,18H,9H2,1H3,(H,15,17).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide has a molecular weight of 290.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide is sourced from PubChem (CID 111482013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).