2-(4-fluoro-3-nitroanilino)-N-propylacetamide

C11H14FN3O3 — CID 32897607

IUPAC2-(4-fluoro-3-nitroanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14FN3O3/c1-2-5-13-11(16)7-14-8-3-4-9(12)10(6-8)15(17)18/h3-4,6,14H,2,5,7H2,1H3,(H,13,16)
InChIKeyUMMCXBNLDMRLKD-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.67
Rot. Bonds6

About 2-(4-fluoro-3-nitroanilino)-N-propylacetamide

2-(4-fluoro-3-nitroanilino)-N-propylacetamide (PubChem CID 32897607) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-(4-fluoro-3-nitroanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-fluoro-3-nitroanilino)-N-propylacetamide
PubChem CID32897607
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name2-(4-fluoro-3-nitroanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14FN3O3/c1-2-5-13-11(16)7-14-8-3-4-9(12)10(6-8)15(17)18/h3-4,6,14H,2,5,7H2,1H3,(H,13,16)
InChIKeyUMMCXBNLDMRLKD-UHFFFAOYSA-N
XLogP1.67
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.67
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-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 2656438
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9099829
2-[(6-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 62542575
2-(4-fluoro-3-nitroanilino)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 31667761
2-(2-nitroanilino)-N-propylacetamide
CID 43398638
2-[(3-fluoro-4-nitrophenyl)sulfonylamino]-N-propylacetamide
CID 82840554
N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 33172062
N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 78795443
4-fluoro-N-(2-methylpentyl)-3-nitroaniline
CID 43719207
N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
CID 1147566
4-fluoro-N-(2-methylbutyl)-3-nitroaniline
CID 43719224

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-nitroanilino)-N-propylacetamide?
The IUPAC name of 2-(4-fluoro-3-nitroanilino)-N-propylacetamide (CID 32897607) is 2-(4-fluoro-3-nitroanilino)-N-propylacetamide.
What is the SMILES notation for 2-(4-fluoro-3-nitroanilino)-N-propylacetamide?
The canonical SMILES for 2-(4-fluoro-3-nitroanilino)-N-propylacetamide is CCCNC(=O)CNc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-fluoro-3-nitroanilino)-N-propylacetamide?
The InChIKey is UMMCXBNLDMRLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-2-5-13-11(16)7-14-8-3-4-9(12)10(6-8)15(17)18/h3-4,6,14H,2,5,7H2,1H3,(H,13,16).
What are the key properties of 2-(4-fluoro-3-nitroanilino)-N-propylacetamide?
2-(4-fluoro-3-nitroanilino)-N-propylacetamide has a molecular weight of 255.25 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-nitroanilino)-N-propylacetamide is sourced from PubChem (CID 32897607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).