4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide

C12H16FNO2 — CID 112703509

IUPAC4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide
SMILESCc1cc(F)ccc1C(=O)NOCC(C)C
InChIInChI=1S/C12H16FNO2/c1-8(2)7-16-14-12(15)11-5-4-10(13)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyKJGLALYEZMPYHG-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.45
Rot. Bonds4

About 4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide

4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide (PubChem CID 112703509) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide
PubChem CID112703509
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide
SMILESCc1cc(F)ccc1C(=O)NOCC(C)C
InChIInChI=1S/C12H16FNO2/c1-8(2)7-16-14-12(15)11-5-4-10(13)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyKJGLALYEZMPYHG-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-methyl-N-(2-methylpropoxy)benzamide
CID 115409670
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-4-methylpentanoate
CID 115745150
2,3-dihydroxy-N-(2-methylpropoxy)benzamide
CID 114344886
4-hydroxy-3-methyl-N-(2-methylpropoxy)benzamide
CID 103956177
N'-acetyl-4-fluoro-2-methylbenzohydrazide
CID 115745372
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
4-fluoro-2-methyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 115745769
2-fluoro-3-methyl-N-(2-methylpropoxy)-5-nitrobenzamide
CID 103297655
2-methyl-N-(2-methylpropoxy)furan-3-carboxamide
CID 115409998
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
3-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116612404
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide (CID 112703509) is 4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide is Cc1cc(F)ccc1C(=O)NOCC(C)C.
What is the InChIKey of 4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide?
The InChIKey is KJGLALYEZMPYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(2)7-16-14-12(15)11-5-4-10(13)6-9(11)3/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide?
4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide has a molecular weight of 225.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2-methylpropoxy)benzamide is sourced from PubChem (CID 112703509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).