N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide

C18H19FN2O3 — CID 57099168

IUPACN-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide
SMILESCC(CCC(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19FN2O3/c1-13(15-5-9-17(10-6-15)21(23)24)2-11-18(22)20-12-14-3-7-16(19)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,20,22)
InChIKeyJTTKTNZPUBLYMH-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.93
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide

N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide (PubChem CID 57099168) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide
PubChem CID57099168
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide
SMILESCC(CCC(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H19FN2O3/c1-13(15-5-9-17(10-6-15)21(23)24)2-11-18(22)20-12-14-3-7-16(19)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,20,22)
InChIKeyJTTKTNZPUBLYMH-UHFFFAOYSA-N
XLogP3.93
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3,4-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)pentanamide
CID 57037123
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
N-[(4-fluorophenyl)methyl]-4-nitrobenzamide
CID 1101313
N'-[(4-fluorophenyl)methyl]-2-methylpentanediamide
CID 68558290
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111233126
2-[ethyl-[3-(4-nitrophenyl)-3-oxopropyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2095738
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 966357
1-[(4-fluorophenyl)methyl]-3-[2-(4-nitroanilino)ethyl]urea
CID 38233006
(1R)-1-(4-fluorophenyl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 81347642
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931667

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide (CID 57099168) is N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide is CC(CCC(=O)NCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide?
The InChIKey is JTTKTNZPUBLYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-13(15-5-9-17(10-6-15)21(23)24)2-11-18(22)20-12-14-3-7-16(19)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide?
N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide has a molecular weight of 330.36 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(4-nitrophenyl)pentanamide is sourced from PubChem (CID 57099168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).