4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide

C10H9ClF2N2O3 — CID 55203675

IUPAC4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide
SMILESO=C(CCCCl)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C10H9ClF2N2O3/c11-3-1-2-10(16)14-8-5-9(15(17)18)7(13)4-6(8)12/h4-5H,1-3H2,(H,14,16)
InChIKeyJWCGWQKNSKLAOE-UHFFFAOYSA-N
MW278.64 g/mol
LogP2.83
Rot. Bonds5

About 4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide

4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide (PubChem CID 55203675) has the molecular formula C10H9ClF2N2O3 and a molecular weight of 278.64 g/mol. Its IUPAC name is 4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide
PubChem CID55203675
Molecular FormulaC10H9ClF2N2O3
Molecular Weight278.64 g/mol
Exact Mass278.03
IUPAC Name4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide
SMILESO=C(CCCCl)Nc1cc([N+](=O)[O-])c(F)cc1F
InChIInChI=1S/C10H9ClF2N2O3/c11-3-1-2-10(16)14-8-5-9(15(17)18)7(13)4-6(8)12/h4-5H,1-3H2,(H,14,16)
InChIKeyJWCGWQKNSKLAOE-UHFFFAOYSA-N
XLogP2.83
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.64
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

N-(2,4-difluoro-5-nitrophenyl)-4-(methylamino)butanamide
CID 54925209
5-amino-N-(2,4-difluoro-5-nitrophenyl)-4-methylpentanamide
CID 82012712
5-(4-chlorobutanoylamino)-2,4-difluorobenzoic acid
CID 55203672
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
N,N'-bis(2-fluoro-5-nitrophenyl)pentanediamide
CID 3363812
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
2-chloro-N-(4,5-difluoro-2-nitrophenyl)acetamide
CID 83309276
3-(4-chlorobutanoylamino)-4-fluorobenzoic acid
CID 63307746
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573
5-amino-N-(2,4-difluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107375841
5-chloro-N-(6-nitro-1,3-benzodioxol-5-yl)pentanamide
CID 43697753

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide?
The IUPAC name of 4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide (CID 55203675) is 4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide?
The canonical SMILES for 4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide is O=C(CCCCl)Nc1cc([N+](=O)[O-])c(F)cc1F.
What is the InChIKey of 4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide?
The InChIKey is JWCGWQKNSKLAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N2O3/c11-3-1-2-10(16)14-8-5-9(15(17)18)7(13)4-6(8)12/h4-5H,1-3H2,(H,14,16).
What are the key properties of 4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide?
4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide has a molecular weight of 278.64 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-difluoro-5-nitrophenyl)butanamide is sourced from PubChem (CID 55203675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).