4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide

C11H14F2N2O2 — CID 55158856

IUPAC4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H14F2N2O2/c1-6(5-17-2)15-11(16)7-3-8(12)10(14)9(13)4-7/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyZVILEAVBJGQXGW-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.31
Rot. Bonds4

About 4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide

4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 55158856) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
PubChem CID55158856
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(F)c(N)c(F)c1
InChIInChI=1S/C11H14F2N2O2/c1-6(5-17-2)15-11(16)7-3-8(12)10(14)9(13)4-7/h3-4,6H,5,14H2,1-2H3,(H,15,16)
InChIKeyZVILEAVBJGQXGW-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.31
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

4-(ethylamino)-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 63183722
4-amino-3,5-dichloro-N-(1-methoxypropan-2-yl)benzamide
CID 82787029
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
3,5-dichloro-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30481549
4-fluoro-N-(1-methoxypropan-2-yl)-3-sulfanylbenzamide
CID 107020016
4-amino-3,5-difluoro-N-pentan-3-ylbenzamide
CID 63187133
4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
CID 63187415
2-chloro-4,5-difluoro-N-(1-methoxypropan-2-yl)benzamide
CID 51072684
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
4-amino-3,5-difluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 63185587
2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 30481632
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide (CID 55158856) is 4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1cc(F)c(N)c(F)c1.
What is the InChIKey of 4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is ZVILEAVBJGQXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-6(5-17-2)15-11(16)7-3-8(12)10(14)9(13)4-7/h3-4,6H,5,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide?
4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 244.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-difluoro-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 55158856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).