2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide

C14H20FN3O3 — CID 107349412

IUPAC2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H20FN3O3/c1-9(2)7-17-14(19)10(3)16-8-11-5-4-6-12(13(11)15)18(20)21/h4-6,9-10,16H,7-8H2,1-3H3,(H,17,19)
InChIKeySALASKSHRCFNBY-UHFFFAOYSA-N
MW297.33 g/mol
LogP1.98
Rot. Bonds7

About 2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide

2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide (PubChem CID 107349412) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide
PubChem CID107349412
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)NCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H20FN3O3/c1-9(2)7-17-14(19)10(3)16-8-11-5-4-6-12(13(11)15)18(20)21/h4-6,9-10,16H,7-8H2,1-3H3,(H,17,19)
InChIKeySALASKSHRCFNBY-UHFFFAOYSA-N
XLogP1.98
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 51.98
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

2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol
CID 107348946
(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349341
3-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160682
2-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350116
N-methyl-2-[(2-methyl-3-nitrophenyl)methylamino]propanamide
CID 54950720
2-[(2-nitrophenyl)methylamino]-N-pentylpropanamide
CID 61068301
3-[(2-fluoro-3-nitrophenyl)methylamino]-3-methylbutan-2-ol
CID 107349471
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349336
N-carbamoyl-2-[(2-nitrophenyl)methylamino]propanamide
CID 61068799
(2R)-2-[(2-methyl-3-nitrophenyl)methylamino]propanoic acid
CID 83194932
3-[(2-fluoro-3-nitrophenyl)methylamino]-N-propan-2-ylpropanamide
CID 107349417
2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350087

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide (CID 107349412) is 2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)NCc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide?
The InChIKey is SALASKSHRCFNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-9(2)7-17-14(19)10(3)16-8-11-5-4-6-12(13(11)15)18(20)21/h4-6,9-10,16H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide?
2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide has a molecular weight of 297.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 107349412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).