2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide

C11H14FN3O3 — CID 65225395

IUPAC2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14FN3O3/c1-2-7(6-13)11(16)14-8-3-4-9(12)10(5-8)15(17)18/h3-5,7H,2,6,13H2,1H3,(H,14,16)
InChIKeyGXJDHKXUCZNESH-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.66
Rot. Bonds5

About 2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide

2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide (PubChem CID 65225395) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide
PubChem CID65225395
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide
SMILESCCC(CN)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14FN3O3/c1-2-7(6-13)11(16)14-8-3-4-9(12)10(5-8)15(17)18/h3-5,7H,2,6,13H2,1H3,(H,14,16)
InChIKeyGXJDHKXUCZNESH-UHFFFAOYSA-N
XLogP1.66
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.66
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-(4-fluoro-3-nitrophenyl)propanamide
CID 61145688
2-(aminomethyl)-N-(2-fluoro-5-nitrophenyl)butanamide
CID 65225442
5-amino-N-(4-fluoro-3-nitrophenyl)-4-methylpentanamide
CID 82011167
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
2-(aminomethyl)-N-(3-bromo-4-nitrophenyl)pentanamide
CID 82864613
N-(4-fluoro-3-nitrophenyl)-2,2-dimethylbutanamide
CID 1147566
4-fluoro-3-nitroaniline;N-(4-fluoro-3-nitrophenyl)acetamide
CID 158096795
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
benzyl N-[(2S,3S)-1-(4-fluoro-3-nitroanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 9207732
(2S)-N-(4-fluoro-3-nitrophenyl)-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide
CID 8646157
[(2R)-1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 8014947
propan-2-yl N-(4-fluoro-3-nitrophenyl)carbamate
CID 107812713

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide (CID 65225395) is 2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide is CCC(CN)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide?
The InChIKey is GXJDHKXUCZNESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-2-7(6-13)11(16)14-8-3-4-9(12)10(5-8)15(17)18/h3-5,7H,2,6,13H2,1H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide?
2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide has a molecular weight of 255.25 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)butanamide is sourced from PubChem (CID 65225395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).