3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide

C12H14F2N2O2 — CID 171933111

IUPAC3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(F)(F)C2)cc1N
InChIInChI=1S/C12H14F2N2O2/c1-18-10-3-2-7(4-9(10)15)11(17)16-8-5-12(13,14)6-8/h2-4,8H,5-6,15H2,1H3,(H,16,17)
InChIKeyMDAJSSMFIYULAO-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.80
Rot. Bonds3

About 3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide

3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide (PubChem CID 171933111) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide
PubChem CID171933111
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(F)(F)C2)cc1N
InChIInChI=1S/C12H14F2N2O2/c1-18-10-3-2-7(4-9(10)15)11(17)16-8-5-12(13,14)6-8/h2-4,8H,5-6,15H2,1H3,(H,16,17)
InChIKeyMDAJSSMFIYULAO-UHFFFAOYSA-N
XLogP1.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073
3-amino-4-methoxy-N-(6-oxopiperidin-3-yl)benzamide
CID 55246056
3-amino-4-methoxy-N-(1-methylcyclopentyl)benzamide
CID 61364767
3-amino-4-methoxy-N-(2-methoxycyclopentyl)benzamide
CID 62088894
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
6-amino-N-(3,3-difluorocyclobutyl)pyridine-3-carboxamide
CID 171037193
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
3-amino-N-(2-cyclopentylethyl)-4-methoxybenzamide
CID 54932498
1-(3-amino-4-methoxyphenyl)-3-(cyclopentylamino)propan-1-one
CID 98017254

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide (CID 171933111) is 3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CC(F)(F)C2)cc1N.
What is the InChIKey of 3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide?
The InChIKey is MDAJSSMFIYULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-18-10-3-2-7(4-9(10)15)11(17)16-8-5-12(13,14)6-8/h2-4,8H,5-6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide?
3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide has a molecular weight of 256.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3-difluorocyclobutyl)-4-methoxybenzamide is sourced from PubChem (CID 171933111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).