N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide

C11H13FN2O4 — CID 107335345

IUPACN-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H13FN2O4/c1-11(2,18-3)10(15)13-8-4-7(12)5-9(6-8)14(16)17/h4-6H,1-3H3,(H,13,15)
InChIKeyDVKXNOVAHYGCPV-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.10
Rot. Bonds4

About N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide

N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide (PubChem CID 107335345) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide
PubChem CID107335345
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC NameN-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H13FN2O4/c1-11(2,18-3)10(15)13-8-4-7(12)5-9(6-8)14(16)17/h4-6H,1-3H3,(H,13,15)
InChIKeyDVKXNOVAHYGCPV-UHFFFAOYSA-N
XLogP2.10
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
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

N-(3-fluoro-5-nitrophenyl)propanamide
CID 107335364
N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 107335340
6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide
CID 107335083
methyl 2-(3-fluoro-5-nitroanilino)propanoate
CID 60875357
N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide
CID 107335260
4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide
CID 107334980
2-(3-fluoro-5-nitroanilino)-2-methylbutanoic acid
CID 79798618
N-(3,5-dimethoxyphenyl)-3-fluoro-5-nitroaniline
CID 80752662
2-(3-fluoro-5-nitroanilino)ethyl carbamate
CID 83204045
2-methoxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 3959919
methyl 2-(3-fluoro-5-nitroanilino)-3-hydroxypropanoate
CID 62004729
(2S)-2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylpentanamide
CID 107335024

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide (CID 107335345) is N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is DVKXNOVAHYGCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-11(2,18-3)10(15)13-8-4-7(12)5-9(6-8)14(16)17/h4-6H,1-3H3,(H,13,15).
What are the key properties of N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide?
N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 256.23 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 107335345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).