4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide

C16H16N2O4 — CID 11392415

IUPAC4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-2-15(12-4-3-5-13(10-12)18(21)22)17-16(20)11-6-8-14(19)9-7-11/h3-10,15,19H,2H2,1H3,(H,17,20)
InChIKeyRGWHFXXOCLFGCF-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.18
Rot. Bonds5

About 4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide

4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide (PubChem CID 11392415) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide
PubChem CID11392415
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H16N2O4/c1-2-15(12-4-3-5-13(10-12)18(21)22)17-16(20)11-6-8-14(19)9-7-11/h3-10,15,19H,2H2,1H3,(H,17,20)
InChIKeyRGWHFXXOCLFGCF-UHFFFAOYSA-N
XLogP3.18
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
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-[1-(3-nitrophenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 71862115
4-methyl-N-[1-(3-nitrophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 71977496
4-amino-N-[1-(3-nitrophenyl)propyl]butanamide
CID 119342113
2-[1-(3-nitrophenyl)propylamino]propane-1,3-diol
CID 65315335
3-amino-N-[1-(3-nitrophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119952385
2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43545307
4-iodo-N-[1-(3-nitrophenyl)ethyl]benzamide
CID 61062545
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
6-chloro-N-[1-(3-nitrophenyl)propyl]-1H-indole-2-carboxamide
CID 166373427
N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43574201
1-(3-nitrophenyl)-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62841318
(3R)-3-[(3-chlorobenzoyl)amino]-3-(3-nitrophenyl)propanoate
CID 7310726

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide?
The IUPAC name of 4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide (CID 11392415) is 4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide is CCC(NC(=O)c1ccc(O)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide?
The InChIKey is RGWHFXXOCLFGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-2-15(12-4-3-5-13(10-12)18(21)22)17-16(20)11-6-8-14(19)9-7-11/h3-10,15,19H,2H2,1H3,(H,17,20).
What are the key properties of 4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide?
4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide has a molecular weight of 300.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-(3-nitrophenyl)propyl]benzamide is sourced from PubChem (CID 11392415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).