2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide

C11H13F2N3O3 — CID 43709921

IUPAC2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C11H13F2N3O3/c1-2-3-8(14)11(17)15-9-5-10(16(18)19)7(13)4-6(9)12/h4-5,8H,2-3,14H2,1H3,(H,15,17)
InChIKeyPNEUYSAOBDNXJW-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.94
Rot. Bonds5

About 2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide

2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide (PubChem CID 43709921) has the molecular formula C11H13F2N3O3 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide
PubChem CID43709921
Molecular FormulaC11H13F2N3O3
Molecular Weight273.24 g/mol
Exact Mass273.09
IUPAC Name2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C11H13F2N3O3/c1-2-3-8(14)11(17)15-9-5-10(16(18)19)7(13)4-6(9)12/h4-5,8H,2-3,14H2,1H3,(H,15,17)
InChIKeyPNEUYSAOBDNXJW-UHFFFAOYSA-N
XLogP1.94
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.94
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

(2S)-2-amino-N-(2,4-difluoro-5-nitrophenyl)-3,3-dimethylbutanamide
CID 61178965
2-amino-N-(5-chloro-2-nitrophenyl)pentanamide
CID 43703652
2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 104815294
(2R)-2-amino-N-(2-bromo-4-methyl-5-nitrophenyl)pentanamide
CID 107570599
methyl 5-[[(2S)-2-aminopentanoyl]amino]-2,4-difluorobenzoate
CID 107568719
(2S)-2-amino-N-(4-fluoro-2-nitrophenyl)hexanamide
CID 107143998
5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide
CID 82012712
(2S)-2-amino-N-(2,4-dimethyl-5-nitrophenyl)hexanamide
CID 107146529
2-amino-N-(4-cyano-2-nitrophenyl)pentanamide
CID 78965671
2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 43650206
(2R)-2-amino-N-(2-fluoro-4-methylphenyl)pentanamide
CID 93255538
(2S)-2-amino-N-(4,5-dimethyl-2-nitrophenyl)hexanamide
CID 107145335

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide?
The IUPAC name of 2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide (CID 43709921) is 2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide?
The canonical SMILES for 2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide is CCCC(N)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of 2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide?
The InChIKey is PNEUYSAOBDNXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O3/c1-2-3-8(14)11(17)15-9-5-10(16(18)19)7(13)4-6(9)12/h4-5,8H,2-3,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide?
2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide has a molecular weight of 273.24 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-difluoro-5-nitrophenyl)pentanamide is sourced from PubChem (CID 43709921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).