N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide

C14H17FN4O4 — CID 78795443

IUPACN-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide
SMILESO=C(CNc1ccc(F)c([N+](=O)[O-])c1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H17FN4O4/c15-11-6-5-10(7-12(11)19(22)23)16-8-13(20)18-14(21)17-9-3-1-2-4-9/h5-7,9,16H,1-4,8H2,(H2,17,18,20,21)
InChIKeyJIAWJOWSZVHRCF-UHFFFAOYSA-N
MW324.31 g/mol
LogP1.91
Rot. Bonds5

About N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide

N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide (PubChem CID 78795443) has the molecular formula C14H17FN4O4 and a molecular weight of 324.31 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide
PubChem CID78795443
Molecular FormulaC14H17FN4O4
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC NameN-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide
SMILESO=C(CNc1ccc(F)c([N+](=O)[O-])c1)NC(=O)NC1CCCC1
InChIInChI=1S/C14H17FN4O4/c15-11-6-5-10(7-12(11)19(22)23)16-8-13(20)18-14(21)17-9-3-1-2-4-9/h5-7,9,16H,1-4,8H2,(H2,17,18,20,21)
InChIKeyJIAWJOWSZVHRCF-UHFFFAOYSA-N
XLogP1.91
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 51.91
H-Bond Donors ≤ 53
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'}

Analyze N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-(4-fluoro-3-nitrophenyl)urea
CID 107812710
2-(4-chloroanilino)-N-(cyclopentylcarbamoyl)acetamide
CID 17413792
N-(cyclopentylcarbamoyl)-2-(3,4-dichloroanilino)acetamide
CID 18096476
2-(4-fluoro-3-nitroanilino)-N-propylacetamide
CID 32897607
2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 9099796
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963
2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9099829
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 2656438
2-(3-amino-4-nitroanilino)-N-cyclopropylacetamide
CID 106749007
tert-butyl 4-(4-fluoro-3-nitroanilino)azepane-1-carboxylate
CID 113361471

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide (CID 78795443) is N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide is O=C(CNc1ccc(F)c([N+](=O)[O-])c1)NC(=O)NC1CCCC1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide?
The InChIKey is JIAWJOWSZVHRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O4/c15-11-6-5-10(7-12(11)19(22)23)16-8-13(20)18-14(21)17-9-3-1-2-4-9/h5-7,9,16H,1-4,8H2,(H2,17,18,20,21).
What are the key properties of N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide?
N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide has a molecular weight of 324.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-(4-fluoro-3-nitroanilino)acetamide is sourced from PubChem (CID 78795443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).