4-fluoro-N-(3-nitrophenyl)pentadecanamide

C21H33FN2O3 — CID 19880084

IUPAC4-fluoro-N-(3-nitrophenyl)pentadecanamide
SMILESCCCCCCCCCCCC(F)CCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H33FN2O3/c1-2-3-4-5-6-7-8-9-10-12-18(22)15-16-21(25)23-19-13-11-14-20(17-19)24(26)27/h11,13-14,17-18H,2-10,12,15-16H2,1H3,(H,23,25)
InChIKeyKZBVULNNWZUCGV-UHFFFAOYSA-N
MW380.50 g/mol
LogP6.57
Rot. Bonds15

About 4-fluoro-N-(3-nitrophenyl)pentadecanamide

4-fluoro-N-(3-nitrophenyl)pentadecanamide (PubChem CID 19880084) has the molecular formula C21H33FN2O3 and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-fluoro-N-(3-nitrophenyl)pentadecanamide.

Molecular Properties

Compound Name4-fluoro-N-(3-nitrophenyl)pentadecanamide
PubChem CID19880084
Molecular FormulaC21H33FN2O3
Molecular Weight380.50 g/mol
Exact Mass380.25
IUPAC Name4-fluoro-N-(3-nitrophenyl)pentadecanamide
SMILESCCCCCCCCCCCC(F)CCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H33FN2O3/c1-2-3-4-5-6-7-8-9-10-12-18(22)15-16-21(25)23-19-13-11-14-20(17-19)24(26)27/h11,13-14,17-18H,2-10,12,15-16H2,1H3,(H,23,25)
InChIKeyKZBVULNNWZUCGV-UHFFFAOYSA-N
XLogP6.57
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-(3-nitroanilino)-5-oxopentanoic acid
CID 3821512
N-(3-nitrophenyl)-3-(propan-2-ylamino)propanamide
CID 60716474
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
4-(methylamino)-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670737
3-(2-methylpropoxy)-N-(3-nitrophenyl)propanamide
CID 38966621
potassium trifluoro-[3-(3-nitroanilino)-3-oxopropyl]boranuide
CID 171150748
3-amino-N-(3-nitrophenyl)butanamide;hydrochloride
CID 119670764
2-iodo-N-(3-nitrophenyl)acetamide
CID 12611682
(2S)-2-[(3-nitrophenyl)carbamoylamino]hexanoic acid
CID 107144866
N-[(1R)-2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]tetradecanamide
CID 98130379
2-amino-N-(3-nitrophenyl)pentanamide
CID 113223757

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-nitrophenyl)pentadecanamide?
The IUPAC name of 4-fluoro-N-(3-nitrophenyl)pentadecanamide (CID 19880084) is 4-fluoro-N-(3-nitrophenyl)pentadecanamide.
What is the SMILES notation for 4-fluoro-N-(3-nitrophenyl)pentadecanamide?
The canonical SMILES for 4-fluoro-N-(3-nitrophenyl)pentadecanamide is CCCCCCCCCCCC(F)CCC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N-(3-nitrophenyl)pentadecanamide?
The InChIKey is KZBVULNNWZUCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33FN2O3/c1-2-3-4-5-6-7-8-9-10-12-18(22)15-16-21(25)23-19-13-11-14-20(17-19)24(26)27/h11,13-14,17-18H,2-10,12,15-16H2,1H3,(H,23,25).
What are the key properties of 4-fluoro-N-(3-nitrophenyl)pentadecanamide?
4-fluoro-N-(3-nitrophenyl)pentadecanamide has a molecular weight of 380.50 g/mol, XLogP of 6.57, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-nitrophenyl)pentadecanamide is sourced from PubChem (CID 19880084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).