5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide

C14H12F2N2O2 — CID 61092438

IUPAC5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(N)c(F)cc2F)cc1
InChIInChI=1S/C14H12F2N2O2/c1-20-9-4-2-8(3-5-9)18-14(19)10-6-13(17)12(16)7-11(10)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyQDUDDARUWSQOOZ-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.81
Rot. Bonds3

About 5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide

5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide (PubChem CID 61092438) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide
PubChem CID61092438
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(N)c(F)cc2F)cc1
InChIInChI=1S/C14H12F2N2O2/c1-20-9-4-2-8(3-5-9)18-14(19)10-6-13(17)12(16)7-11(10)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyQDUDDARUWSQOOZ-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

5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 61090590
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
5-amino-2,4-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699288
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146
3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide
CID 60861516
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
4-amino-2-chloro-N-(4-methoxyphenyl)benzamide
CID 16792666
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 22145674
2-amino-N-(3-fluoro-4-hydroxyphenyl)-5-methoxybenzamide
CID 115413371
5-amino-N-(1-benzothiophen-5-yl)-2,4-difluorobenzamide
CID 65474617
3-amino-N-(4-methoxyphenyl)-2-methylbenzamide
CID 16787137

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide (CID 61092438) is 5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cc(N)c(F)cc2F)cc1.
What is the InChIKey of 5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide?
The InChIKey is QDUDDARUWSQOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-20-9-4-2-8(3-5-9)18-14(19)10-6-13(17)12(16)7-11(10)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide?
5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide 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 5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 61092438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).