N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide

C14H12F2N2O2 — CID 61240247

IUPACN-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
SMILESCOc1cc(NC(=O)c2c(F)cccc2F)ccc1N
InChIInChI=1S/C14H12F2N2O2/c1-20-12-7-8(5-6-11(12)17)18-14(19)13-9(15)3-2-4-10(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyKTVBKINZTAKRII-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.81
Rot. Bonds3

About N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide

N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide (PubChem CID 61240247) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
PubChem CID61240247
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC NameN-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
SMILESCOc1cc(NC(=O)c2c(F)cccc2F)ccc1N
InChIInChI=1S/C14H12F2N2O2/c1-20-12-7-8(5-6-11(12)17)18-14(19)13-9(15)3-2-4-10(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyKTVBKINZTAKRII-UHFFFAOYSA-N
XLogP2.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.81
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

2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide
CID 114836825
N-(3-amino-4-methoxyphenyl)-2,4,6-trifluorobenzamide
CID 65100627
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
2-fluoro-6-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 104917008
N-(3,4-diethoxyphenyl)-2,6-difluorobenzamide
CID 26212684
2-fluoro-N-(4-iodophenyl)-6-methoxybenzamide
CID 65432477
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide
CID 61240435
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-(4-acetylphenyl)-2-fluoro-6-methoxybenzamide
CID 65434404
2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide (CID 61240247) is N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide is COc1cc(NC(=O)c2c(F)cccc2F)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide?
The InChIKey is KTVBKINZTAKRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-20-12-7-8(5-6-11(12)17)18-14(19)13-9(15)3-2-4-10(13)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide?
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide has a molecular weight of 278.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 61240247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).